Merge pull request #339 from wines1/main

Adding chipsff result.
usnistgov · Nov 21, 2024 · 6729a2a · 6729a2a
2 parents 991920f + 5df726d
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diff --git a/docs/.DS_Store b/docs/.DS_Store
diff --git a/docs/AI/AtomGen/carbon24_energy_per_atom.md b/docs/AI/AtomGen/carbon24_energy_per_atom.md
diff --git a/docs/AI/AtomGen/dft_3d_Tc_supercon.md b/docs/AI/AtomGen/dft_3d_Tc_supercon.md
diff --git a/docs/AI/ImageClass/stem_2d_image_bravais_class.md b/docs/AI/ImageClass/stem_2d_image_bravais_class.md
diff --git a/docs/AI/MLFF/alignn_ff_db_energy.md b/docs/AI/MLFF/alignn_ff_db_energy.md
diff --git a/docs/AI/MLFF/alignn_ff_db_forces.md b/docs/AI/MLFF/alignn_ff_db_forces.md
diff --git a/docs/AI/MLFF/index.md b/docs/AI/MLFF/index.md
diff --git a/docs/AI/MLFF/mlearn_Cu_energy.md b/docs/AI/MLFF/mlearn_Cu_energy.md
diff --git a/docs/AI/MLFF/mlearn_Cu_forces.md b/docs/AI/MLFF/mlearn_Cu_forces.md
diff --git a/docs/AI/MLFF/mlearn_Cu_stresses.md b/docs/AI/MLFF/mlearn_Cu_stresses.md
diff --git a/docs/AI/MLFF/mlearn_Ge_energy.md b/docs/AI/MLFF/mlearn_Ge_energy.md
diff --git a/docs/AI/MLFF/mlearn_Ge_forces.md b/docs/AI/MLFF/mlearn_Ge_forces.md
diff --git a/docs/AI/MLFF/mlearn_Ge_stresses.md b/docs/AI/MLFF/mlearn_Ge_stresses.md
diff --git a/docs/AI/MLFF/mlearn_Li_energy.md b/docs/AI/MLFF/mlearn_Li_energy.md
diff --git a/docs/AI/MLFF/mlearn_Li_forces.md b/docs/AI/MLFF/mlearn_Li_forces.md
diff --git a/docs/AI/MLFF/mlearn_Li_stresses.md b/docs/AI/MLFF/mlearn_Li_stresses.md
diff --git a/docs/AI/MLFF/mlearn_Mo_energy.md b/docs/AI/MLFF/mlearn_Mo_energy.md
diff --git a/docs/AI/MLFF/mlearn_Mo_forces.md b/docs/AI/MLFF/mlearn_Mo_forces.md
diff --git a/docs/AI/MLFF/mlearn_Mo_stresses.md b/docs/AI/MLFF/mlearn_Mo_stresses.md
diff --git a/docs/AI/MLFF/mlearn_Ni_energy.md b/docs/AI/MLFF/mlearn_Ni_energy.md
diff --git a/docs/AI/MLFF/mlearn_Ni_forces.md b/docs/AI/MLFF/mlearn_Ni_forces.md
diff --git a/docs/AI/MLFF/mlearn_Ni_stresses.md b/docs/AI/MLFF/mlearn_Ni_stresses.md
diff --git a/docs/AI/MLFF/mlearn_Si_energy.md b/docs/AI/MLFF/mlearn_Si_energy.md
diff --git a/docs/AI/MLFF/mlearn_Si_forces.md b/docs/AI/MLFF/mlearn_Si_forces.md
diff --git a/docs/AI/MLFF/mlearn_Si_stresses.md b/docs/AI/MLFF/mlearn_Si_stresses.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_magmom_oszicar.md b/docs/AI/SinglePropertyClass/dft_3d_magmom_oszicar.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_mbj_bandgap.md b/docs/AI/SinglePropertyClass/dft_3d_mbj_bandgap.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_n_powerfact.md b/docs/AI/SinglePropertyClass/dft_3d_n_powerfact.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_optb88vdw_bandgap.md b/docs/AI/SinglePropertyClass/dft_3d_optb88vdw_bandgap.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_p_Seebeck.md b/docs/AI/SinglePropertyClass/dft_3d_p_Seebeck.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_slme.md b/docs/AI/SinglePropertyClass/dft_3d_slme.md
diff --git a/docs/AI/SinglePropertyClass/dft_3d_spillage.md b/docs/AI/SinglePropertyClass/dft_3d_spillage.md
diff --git a/docs/AI/SinglePropertyClass/index.md b/docs/AI/SinglePropertyClass/index.md
@@ -5,4 +5,4 @@ See: https://figshare.com/projects/ALIGNN_models/126478
 <!--number_of_contributions--> - Number of contributions: 21
 
 
-<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_magmom_oszicar" target="_blank">dft_3d_magmom_oszicar</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9489</td><td>UofT</td><td>dft_3d</td><td>52210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_mbj_bandgap" target="_blank">dft_3d_mbj_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9399</td><td>UofT</td><td>dft_3d</td><td>18167</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_n_powerfact" target="_blank">dft_3d_n_powerfact</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8186</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_optb88vdw_bandgap" target="_blank">dft_3d_optb88vdw_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9361</td><td>UofT</td><td>dft_3d</td><td>55713</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_p_Seebeck" target="_blank">dft_3d_p_Seebeck</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9332</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_slme" target="_blank">dft_3d_slme</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_rf" target="_blank">matminer_rf</a></td><td>ACC</td><td>0.8422</td><td>UofT</td><td>dft_3d</td><td>9062</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_spillage" target="_blank">dft_3d_spillage</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8364</td><td>UofT</td><td>dft_3d</td><td>11375</td></tr><!--table_content--></table>
+<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_n_powerfact" target="_blank">dft_3d_n_powerfact</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8186</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_magmom_oszicar" target="_blank">dft_3d_magmom_oszicar</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9489</td><td>UofT</td><td>dft_3d</td><td>52210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_slme" target="_blank">dft_3d_slme</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_rf" target="_blank">matminer_rf</a></td><td>ACC</td><td>0.8422</td><td>UofT</td><td>dft_3d</td><td>9062</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_p_Seebeck" target="_blank">dft_3d_p_Seebeck</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9332</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_spillage" target="_blank">dft_3d_spillage</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8364</td><td>UofT</td><td>dft_3d</td><td>11375</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_mbj_bandgap" target="_blank">dft_3d_mbj_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9399</td><td>UofT</td><td>dft_3d</td><td>18167</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_optb88vdw_bandgap" target="_blank">dft_3d_optb88vdw_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9361</td><td>UofT</td><td>dft_3d</td><td>55713</td></tr><!--table_content--></table>
diff --git a/docs/AI/SinglePropertyPrediction/AGRA_CHO_ead.md b/docs/AI/SinglePropertyPrediction/AGRA_CHO_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/AGRA_COOH_ead.md b/docs/AI/SinglePropertyPrediction/AGRA_COOH_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/AGRA_CO_ead.md b/docs/AI/SinglePropertyPrediction/AGRA_CO_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/AGRA_OH_ead.md b/docs/AI/SinglePropertyPrediction/AGRA_OH_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/AGRA_O_ead.md b/docs/AI/SinglePropertyPrediction/AGRA_O_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride.md b/docs/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride_plus_bulk.md b/docs/AI/SinglePropertyPrediction/dft_3d_Tc_supercon_hydride_plus_bulk.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_avg_elec_mass.md b/docs/AI/SinglePropertyPrediction/dft_3d_avg_elec_mass.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_avg_hole_mass.md b/docs/AI/SinglePropertyPrediction/dft_3d_avg_hole_mass.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_bulk_modulus_kv.md b/docs/AI/SinglePropertyPrediction/dft_3d_bulk_modulus_kv.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_a.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_a.md
@@ -0,0 +1 @@
+#Lattice Constant of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_b.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_b.md
@@ -0,0 +1 @@
+#Lattice constant of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_c.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_c.md
@@ -0,0 +1 @@
+#Lattice Constant of CHIPS-FF materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_c11.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_c11.md
@@ -0,0 +1 @@
+#Elastic constant of CHIPS-FF materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_c44.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_c44.md
@@ -0,0 +1 @@
+#Elastic Constant of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_form_en.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_form_en.md
@@ -0,0 +1 @@
+#Formation energy of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_kv.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_kv.md
@@ -0,0 +1 @@
+#Bulk modulus of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_surf_en.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_surf_en.md
@@ -0,0 +1 @@
+#Surface Energy of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_vac_en.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_vac_en.md
@@ -0,0 +1 @@
+#Vacancy Energy of CHIPS-FF Materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_vol.md b/docs/AI/SinglePropertyPrediction/dft_3d_chipsff_vol.md
@@ -0,0 +1 @@
+#Equilibrium Volume of CHIPS-FF materials
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_dfpt_piezo_max_dielectric.md b/docs/AI/SinglePropertyPrediction/dft_3d_dfpt_piezo_max_dielectric.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_dfpt_piezo_max_dij.md b/docs/AI/SinglePropertyPrediction/dft_3d_dfpt_piezo_max_dij.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_ehull.md b/docs/AI/SinglePropertyPrediction/dft_3d_ehull.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_encut.md b/docs/AI/SinglePropertyPrediction/dft_3d_encut.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_epsx.md b/docs/AI/SinglePropertyPrediction/dft_3d_epsx.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_epsy.md b/docs/AI/SinglePropertyPrediction/dft_3d_epsy.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_epsz.md b/docs/AI/SinglePropertyPrediction/dft_3d_epsz.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_exfoliation_energy.md b/docs/AI/SinglePropertyPrediction/dft_3d_exfoliation_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_formation_energy_peratom.md b/docs/AI/SinglePropertyPrediction/dft_3d_formation_energy_peratom.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_kpoint_length_unit.md b/docs/AI/SinglePropertyPrediction/dft_3d_kpoint_length_unit.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_magmom_oszicar.md b/docs/AI/SinglePropertyPrediction/dft_3d_magmom_oszicar.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_max_efg.md b/docs/AI/SinglePropertyPrediction/dft_3d_max_efg.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_mbj_bandgap.md b/docs/AI/SinglePropertyPrediction/dft_3d_mbj_bandgap.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_mepsx.md b/docs/AI/SinglePropertyPrediction/dft_3d_mepsx.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_mepsy.md b/docs/AI/SinglePropertyPrediction/dft_3d_mepsy.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_mepsz.md b/docs/AI/SinglePropertyPrediction/dft_3d_mepsz.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_n_Seebeck.md b/docs/AI/SinglePropertyPrediction/dft_3d_n_Seebeck.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_n_powerfact.md b/docs/AI/SinglePropertyPrediction/dft_3d_n_powerfact.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_optb88vdw_bandgap.md b/docs/AI/SinglePropertyPrediction/dft_3d_optb88vdw_bandgap.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_optb88vdw_total_energy.md b/docs/AI/SinglePropertyPrediction/dft_3d_optb88vdw_total_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_ph_heat_capacity.md b/docs/AI/SinglePropertyPrediction/dft_3d_ph_heat_capacity.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_shear_modulus_gv.md b/docs/AI/SinglePropertyPrediction/dft_3d_shear_modulus_gv.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_slme.md b/docs/AI/SinglePropertyPrediction/dft_3d_slme.md
diff --git a/docs/AI/SinglePropertyPrediction/dft_3d_spillage.md b/docs/AI/SinglePropertyPrediction/dft_3d_spillage.md
diff --git a/docs/AI/SinglePropertyPrediction/halide_peroskites_HSE_decomp_energy.md b/docs/AI/SinglePropertyPrediction/halide_peroskites_HSE_decomp_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/halide_peroskites_HSE_gap.md b/docs/AI/SinglePropertyPrediction/halide_peroskites_HSE_gap.md
diff --git a/docs/AI/SinglePropertyPrediction/halide_peroskites_PBE_decomp_energy.md b/docs/AI/SinglePropertyPrediction/halide_peroskites_PBE_decomp_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/halide_peroskites_PBE_gap.md b/docs/AI/SinglePropertyPrediction/halide_peroskites_PBE_gap.md
diff --git a/docs/AI/SinglePropertyPrediction/halide_peroskites_Ref_ind.md b/docs/AI/SinglePropertyPrediction/halide_peroskites_Ref_ind.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_lcd.md b/docs/AI/SinglePropertyPrediction/hmof_lcd.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_max_co2_adsp.md b/docs/AI/SinglePropertyPrediction/hmof_max_co2_adsp.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_min_co2_adsp.md b/docs/AI/SinglePropertyPrediction/hmof_min_co2_adsp.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_pld.md b/docs/AI/SinglePropertyPrediction/hmof_pld.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_surface_area_m2cm3.md b/docs/AI/SinglePropertyPrediction/hmof_surface_area_m2cm3.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_surface_area_m2g.md b/docs/AI/SinglePropertyPrediction/hmof_surface_area_m2g.md
diff --git a/docs/AI/SinglePropertyPrediction/hmof_void_fraction.md b/docs/AI/SinglePropertyPrediction/hmof_void_fraction.md
diff --git a/docs/AI/SinglePropertyPrediction/index.md b/docs/AI/SinglePropertyPrediction/index.md
diff --git a/docs/AI/SinglePropertyPrediction/mag2d_chem_magnetic_moment.md b/docs/AI/SinglePropertyPrediction/mag2d_chem_magnetic_moment.md
diff --git a/docs/AI/SinglePropertyPrediction/megnet_e_form.md b/docs/AI/SinglePropertyPrediction/megnet_e_form.md
diff --git a/docs/AI/SinglePropertyPrediction/megnet_gappbe.md b/docs/AI/SinglePropertyPrediction/megnet_gappbe.md
diff --git a/docs/AI/SinglePropertyPrediction/mxene275_formation_energy.md b/docs/AI/SinglePropertyPrediction/mxene275_formation_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/ocp100k_relaxed_energy.md b/docs/AI/SinglePropertyPrediction/ocp100k_relaxed_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/ocp10k_relaxed_energy.md b/docs/AI/SinglePropertyPrediction/ocp10k_relaxed_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/ocp_all_relaxed_energy.md b/docs/AI/SinglePropertyPrediction/ocp_all_relaxed_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/qe_tb_energy_per_atom.md b/docs/AI/SinglePropertyPrediction/qe_tb_energy_per_atom.md
diff --git a/docs/AI/SinglePropertyPrediction/qe_tb_f_enp.md b/docs/AI/SinglePropertyPrediction/qe_tb_f_enp.md
diff --git a/docs/AI/SinglePropertyPrediction/qe_tb_final_energy.md b/docs/AI/SinglePropertyPrediction/qe_tb_final_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/qe_tb_indir_gap.md b/docs/AI/SinglePropertyPrediction/qe_tb_indir_gap.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_Cv.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_Cv.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_G.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_G.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_H.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_H.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_HOMO.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_HOMO.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_LUMO.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_LUMO.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_R2.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_R2.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_U.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_U.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_U0.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_U0.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_ZPVE.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_ZPVE.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_alpha.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_alpha.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_gap.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_gap.md
diff --git a/docs/AI/SinglePropertyPrediction/qm9_std_jctc_mu.md b/docs/AI/SinglePropertyPrediction/qm9_std_jctc_mu.md
diff --git a/docs/AI/SinglePropertyPrediction/qmof_bandgap.md b/docs/AI/SinglePropertyPrediction/qmof_bandgap.md
diff --git a/docs/AI/SinglePropertyPrediction/snumat_Band_gap_HSE.md b/docs/AI/SinglePropertyPrediction/snumat_Band_gap_HSE.md
diff --git a/docs/AI/SinglePropertyPrediction/ssub_formula_energy.md b/docs/AI/SinglePropertyPrediction/ssub_formula_energy.md
diff --git a/docs/AI/SinglePropertyPrediction/supercon_chem_Tc.md b/docs/AI/SinglePropertyPrediction/supercon_chem_Tc.md
diff --git a/docs/AI/SinglePropertyPrediction/tinnet_N_ead.md b/docs/AI/SinglePropertyPrediction/tinnet_N_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/tinnet_OH_ead.md b/docs/AI/SinglePropertyPrediction/tinnet_OH_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/tinnet_O_ead.md b/docs/AI/SinglePropertyPrediction/tinnet_O_ead.md
diff --git a/docs/AI/SinglePropertyPrediction/vacancydb_2D_ef.md b/docs/AI/SinglePropertyPrediction/vacancydb_2D_ef.md
diff --git a/docs/AI/SinglePropertyPrediction/vacancydb_ef.md b/docs/AI/SinglePropertyPrediction/vacancydb_ef.md
diff --git a/docs/AI/SinglePropertyPrediction/vacancydb_elements_ef.md b/docs/AI/SinglePropertyPrediction/vacancydb_elements_ef.md
diff --git a/docs/AI/SinglePropertyPrediction/vacancydb_oxides_ef.md b/docs/AI/SinglePropertyPrediction/vacancydb_oxides_ef.md
diff --git a/docs/AI/SinglePropertyPrediction/vacancydb_oxides_train_test_ef.md b/docs/AI/SinglePropertyPrediction/vacancydb_oxides_train_test_ef.md
diff --git a/docs/AI/Spectra/edos_pdos_ph_dos.md b/docs/AI/Spectra/edos_pdos_ph_dos.md
diff --git a/docs/AI/Spectra/index.md b/docs/AI/Spectra/index.md
@@ -2,4 +2,4 @@ Spectra model
 
 <!--number_of_contributions--> - Number of contributions: 1
 
-<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/Spectra" target="_blank">Spectra</a></td><td><a href= "./edos_pdos_ph_dos" target="_blank">edos_pdos_ph_dos</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_model" target="_blank">alignn_model</a></td><td>MULTIMAE</td><td>0.0577</td><td>ALIGNN</td><td>edos_pdos</td><td>14243</td></tr><!--table_content--></table>
+<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/Spectra" target="_blank">Spectra</a></td><td><a href= "./edos_pdos_ph_dos" target="_blank">edos_pdos_ph_dos</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_model" target="_blank">alignn_model</a></td><td>MULTIMAE</td><td>0.05772635693310998</td><td>ALIGNN</td><td>edos_pdos</td><td>14243</td></tr><!--table_content--></table>
diff --git a/docs/AI/TextClass/arXiv_categories.md b/docs/AI/TextClass/arXiv_categories.md
diff --git a/docs/AI/TextClass/index.md b/docs/AI/TextClass/index.md
@@ -2,10 +2,10 @@ Text category classification for cond-mat class
 
 See: https://github.com/usnistgov/chemnlp
 
-<!--number_of_contributions--> - Number of contributions: 18
+<!--number_of_contributions--> - Number of contributions: 28
 
 
 
 
 
-<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/TextClass" target="_blank">TextClass</a></td><td><a href= "./arXiv_categories" target="_blank">arXiv_categories</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/svc_model_text_abstract" target="_blank">svc_model_text_abstract</a></td><td>ACC</td><td>0.9082</td><td>ChemNLP</td><td>arXiv</td><td>100994</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/TextClass" target="_blank">TextClass</a></td><td><a href= "./pubchem_categories" target="_blank">pubchem_categories</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/logisticreg_model_text_title_abstract" target="_blank">logisticreg_model_text_title_abstract</a></td><td>ACC</td><td>0.9674</td><td>ChemNLP</td><td>pubchem</td><td>44500</td></tr><!--table_content--></table>
+<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/TextClass" target="_blank">TextClass</a></td><td><a href= "./pubchem_categories" target="_blank">pubchem_categories</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/logisticreg_model_text_title_abstract" target="_blank">logisticreg_model_text_title_abstract</a></td><td>ACC</td><td>0.9674</td><td>ChemNLP</td><td>pubchem</td><td>44500</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/TextClass" target="_blank">TextClass</a></td><td><a href= "./arXiv_categories" target="_blank">arXiv_categories</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/svc_model_text_title_abstract" target="_blank">svc_model_text_title_abstract</a></td><td>ACC</td><td>0.9082</td><td>ChemNLP</td><td>arXiv</td><td>100994</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/TextClass" target="_blank">TextClass</a></td><td><a href= "./mmlu_test_quiz" target="_blank">mmlu_test_quiz</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/google_t5_xl" target="_blank">google_t5_xl</a></td><td>ACC</td><td>0.4887</td><td>ChemNLP</td><td>mmlu_test</td><td>14042</td></tr><!--table_content--></table>
Original file line number	Diff line number	Diff line change
Expand Up		@@ -5,4 +5,4 @@ See: https://figshare.com/projects/ALIGNN_models/126478
		<!--number_of_contributions--> - Number of contributions: 21


		<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_magmom_oszicar" target="_blank">dft_3d_magmom_oszicar</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9489</td><td>UofT</td><td>dft_3d</td><td>52210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_mbj_bandgap" target="_blank">dft_3d_mbj_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9399</td><td>UofT</td><td>dft_3d</td><td>18167</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_n_powerfact" target="_blank">dft_3d_n_powerfact</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8186</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_optb88vdw_bandgap" target="_blank">dft_3d_optb88vdw_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9361</td><td>UofT</td><td>dft_3d</td><td>55713</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_p_Seebeck" target="_blank">dft_3d_p_Seebeck</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9332</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_slme" target="_blank">dft_3d_slme</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_rf" target="_blank">matminer_rf</a></td><td>ACC</td><td>0.8422</td><td>UofT</td><td>dft_3d</td><td>9062</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_spillage" target="_blank">dft_3d_spillage</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8364</td><td>UofT</td><td>dft_3d</td><td>11375</td></tr><!--table_content--></table>
		<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_n_powerfact" target="_blank">dft_3d_n_powerfact</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8186</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_magmom_oszicar" target="_blank">dft_3d_magmom_oszicar</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9489</td><td>UofT</td><td>dft_3d</td><td>52210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_slme" target="_blank">dft_3d_slme</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_rf" target="_blank">matminer_rf</a></td><td>ACC</td><td>0.8422</td><td>UofT</td><td>dft_3d</td><td>9062</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_p_Seebeck" target="_blank">dft_3d_p_Seebeck</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9332</td><td>UofT</td><td>dft_3d</td><td>23210</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_spillage" target="_blank">dft_3d_spillage</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.8364</td><td>UofT</td><td>dft_3d</td><td>11375</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_mbj_bandgap" target="_blank">dft_3d_mbj_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9399</td><td>UofT</td><td>dft_3d</td><td>18167</td></tr><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/SinglePropertyClass" target="_blank">SinglePropertyClass</a></td><td><a href= "./dft_3d_optb88vdw_bandgap" target="_blank">dft_3d_optb88vdw_bandgap</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/matminer_xgboost" target="_blank">matminer_xgboost</a></td><td>ACC</td><td>0.9361</td><td>UofT</td><td>dft_3d</td><td>55713</td></tr><!--table_content--></table>
Original file line number	Diff line number	Diff line change
Expand Up		@@ -2,4 +2,4 @@ Spectra model

		<!--number_of_contributions--> - Number of contributions: 1

		<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/Spectra" target="_blank">Spectra</a></td><td><a href= "./edos_pdos_ph_dos" target="_blank">edos_pdos_ph_dos</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_model" target="_blank">alignn_model</a></td><td>MULTIMAE</td><td>0.0577</td><td>ALIGNN</td><td>edos_pdos</td><td>14243</td></tr><!--table_content--></table>
		<!--table_content--><table style="width:100%" id="j_table"><thead><tr><th>Category</th><th>Sub-category</th><th>Benchmark</th><th>Method</th><th>Metric</th><th>Score</th><th>Team</th><th>Dataset</th><th>Size</th></tr></thead><tr><td><a href= "./AI" target="_blank">AI</a></td><td><a href= "./AI/Spectra" target="_blank">Spectra</a></td><td><a href= "./edos_pdos_ph_dos" target="_blank">edos_pdos_ph_dos</a></td><td><a href="https://github.com/usnistgov/jarvis_leaderboard/tree/main/jarvis_leaderboard/contributions/alignn_model" target="_blank">alignn_model</a></td><td>MULTIMAE</td><td>0.05772635693310998</td><td>ALIGNN</td><td>edos_pdos</td><td>14243</td></tr><!--table_content--></table>