readme fix for unimol_plus

dptech-corp · Jan 19, 2024 · 3d649d0 · 3d649d0
1 parent 9913e85
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Showing 35 changed files with 6 additions and 3 deletions.
diff --git a/README.md b/README.md
@@ -20,6 +20,12 @@ To begin working with NAG2G, you'll need to set up your environment. Below is a
 git clone https://github.com/dptech-corp/Uni-Core
 cd Uni-Core
 pip install .
+cd -
+
+# Install Unimol plus
+cd unimol_plus
+pip install .
+cd -
 
 # Install PyTorch and related libraries
 pip install torch torchvision torchaudio

diff --git a/unimolplus/.gitignore → unimol_plus/.gitignore b/unimolplus/.gitignore → unimol_plus/.gitignore
diff --git a/unimolplus/README.md → unimol_plus/README.md b/unimolplus/README.md → unimol_plus/README.md
diff --git a/...lus/examples/mol_conformers/preprocess.py → ...lus/examples/mol_conformers/preprocess.py b/...lus/examples/mol_conformers/preprocess.py → ...lus/examples/mol_conformers/preprocess.py
diff --git a/unimolplus/examples/molecules/preprocess.py → unimol_plus/examples/molecules/preprocess.py b/unimolplus/examples/molecules/preprocess.py → unimol_plus/examples/molecules/preprocess.py
diff --git a/...us/examples/molecules/preprocess_slurm.py → ...us/examples/molecules/preprocess_slurm.py b/...us/examples/molecules/preprocess_slurm.py → ...us/examples/molecules/preprocess_slurm.py
diff --git a/...olplus/examples/pcqm4m/check_train_smi.py → ...l_plus/examples/pcqm4m/check_train_smi.py b/...olplus/examples/pcqm4m/check_train_smi.py → ...l_plus/examples/pcqm4m/check_train_smi.py
diff --git a/unimolplus/examples/pcqm4m/dict.txt → unimol_plus/examples/pcqm4m/dict.txt b/unimolplus/examples/pcqm4m/dict.txt → unimol_plus/examples/pcqm4m/dict.txt
diff --git a/unimolplus/examples/pcqm4m/download.sh → unimol_plus/examples/pcqm4m/download.sh b/unimolplus/examples/pcqm4m/download.sh → unimol_plus/examples/pcqm4m/download.sh
diff --git a/...lplus/examples/pcqm4m/gen_label3d_lmdb.py → ..._plus/examples/pcqm4m/gen_label3d_lmdb.py b/...lplus/examples/pcqm4m/gen_label3d_lmdb.py → ..._plus/examples/pcqm4m/gen_label3d_lmdb.py
diff --git a/unimolplus/examples/pcqm4m/get_mul3d_lmdb.py → ...ol_plus/examples/pcqm4m/get_mul3d_lmdb.py b/unimolplus/examples/pcqm4m/get_mul3d_lmdb.py → ...ol_plus/examples/pcqm4m/get_mul3d_lmdb.py
diff --git a/unimol_plus/figure/overview.png b/unimol_plus/figure/overview.png
diff --git a/unimolplus/inference.py → unimol_plus/inference.py b/unimolplus/inference.py → unimol_plus/inference.py
diff --git a/unimolplus/inference.sh → unimol_plus/inference.sh b/unimolplus/inference.sh → unimol_plus/inference.sh
diff --git a/unimolplus/scripts/replace_keys.py → unimol_plus/scripts/replace_keys.py b/unimolplus/scripts/replace_keys.py → unimol_plus/scripts/replace_keys.py
diff --git a/unimolplus/scripts/replace_pos_pred.py → unimol_plus/scripts/replace_pos_pred.py b/unimolplus/scripts/replace_pos_pred.py → unimol_plus/scripts/replace_pos_pred.py
diff --git a/unimolplus/setup.py → unimol_plus/setup.py b/unimolplus/setup.py → unimol_plus/setup.py
diff --git a/unimolplus/train_pcq.sh → unimol_plus/train_pcq.sh b/unimolplus/train_pcq.sh → unimol_plus/train_pcq.sh
diff --git a/unimolplus/unimol/__init__.py → unimol_plus/unimol/__init__.py b/unimolplus/unimol/__init__.py → unimol_plus/unimol/__init__.py
diff --git a/unimolplus/unimol/data/__init__.py → unimol_plus/unimol/data/__init__.py b/unimolplus/unimol/data/__init__.py → unimol_plus/unimol/data/__init__.py
diff --git a/...s/unimol/data/conformer_sample_dataset.py → ...s/unimol/data/conformer_sample_dataset.py b/...s/unimol/data/conformer_sample_dataset.py → ...s/unimol/data/conformer_sample_dataset.py
diff --git a/...olplus/unimol/data/coord_noise_dataset.py → ...l_plus/unimol/data/coord_noise_dataset.py b/...olplus/unimol/data/coord_noise_dataset.py → ...l_plus/unimol/data/coord_noise_dataset.py
diff --git a/unimolplus/unimol/data/data_utils.py → unimol_plus/unimol/data/data_utils.py b/unimolplus/unimol/data/data_utils.py → unimol_plus/unimol/data/data_utils.py
diff --git a/unimolplus/unimol/data/key_dataset.py → unimol_plus/unimol/data/key_dataset.py b/unimolplus/unimol/data/key_dataset.py → unimol_plus/unimol/data/key_dataset.py
diff --git a/unimolplus/unimol/data/lmdb_dataset.py → unimol_plus/unimol/data/lmdb_dataset.py b/unimolplus/unimol/data/lmdb_dataset.py → unimol_plus/unimol/data/lmdb_dataset.py
diff --git a/unimolplus/unimol/data/molecule_dataset.py → unimol_plus/unimol/data/molecule_dataset.py b/unimolplus/unimol/data/molecule_dataset.py → unimol_plus/unimol/data/molecule_dataset.py
diff --git a/unimolplus/unimol/losses/__init__.py → unimol_plus/unimol/losses/__init__.py b/unimolplus/unimol/losses/__init__.py → unimol_plus/unimol/losses/__init__.py
diff --git a/unimolplus/unimol/losses/unimolv2.py → unimol_plus/unimol/losses/unimolv2.py b/unimolplus/unimol/losses/unimolv2.py → unimol_plus/unimol/losses/unimolv2.py
diff --git a/unimolplus/unimol/models/__init__.py → unimol_plus/unimol/models/__init__.py b/unimolplus/unimol/models/__init__.py → unimol_plus/unimol/models/__init__.py
diff --git a/unimolplus/unimol/models/layers.py → unimol_plus/unimol/models/layers.py b/unimolplus/unimol/models/layers.py → unimol_plus/unimol/models/layers.py
diff --git a/unimolplus/unimol/models/unimolv2.py → unimol_plus/unimol/models/unimolv2.py b/unimolplus/unimol/models/unimolv2.py → unimol_plus/unimol/models/unimolv2.py
diff --git a/unimolplus/unimol/models/unimolv2_encoder.py → ...ol_plus/unimol/models/unimolv2_encoder.py b/unimolplus/unimol/models/unimolv2_encoder.py → ...ol_plus/unimol/models/unimolv2_encoder.py
diff --git a/unimolplus/unimol/tasks/__init__.py → unimol_plus/unimol/tasks/__init__.py b/unimolplus/unimol/tasks/__init__.py → unimol_plus/unimol/tasks/__init__.py
diff --git a/unimolplus/unimol/tasks/unimolv2.py → unimol_plus/unimol/tasks/unimolv2.py b/unimolplus/unimol/tasks/unimolv2.py → unimol_plus/unimol/tasks/unimolv2.py
diff --git a/valid.sh b/valid.sh
@@ -62,9 +62,6 @@ case $model_infer_type in
     [ -z "${data_path}" ] && data_path='USPTO50K_brief_20230227'
     task=G2G_unimolv2
     encoder_type=unimolv2
-    cd unimolplus
-    pip install .
-    cd -
     echo "u50"
     ;;
   *)