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femto Public
Forked from Psivant/femtoA comprehensive toolkit for predicting free energies
Python MIT License UpdatedApr 1, 2024 -
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openmmexampleplugin Public
Forked from openmm/openmmexamplepluginAn example of how to write a plugin for OpenMM
C++ UpdatedSep 19, 2020 -
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openmmtools Public
Forked from choderalab/openmmtoolsAn OpenMM toolkit with test systems, integrators, and alchemical support
Python MIT License UpdatedAug 20, 2020 -
ufedmm Public
Forked from craabreu/ufedmmUnified Free Energy Dynamics (UFED) simulations with OpenMM
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ROCSALT Public
Forked from choderalab/ROCSALTDual topology alchemical free energies
Python MIT License UpdatedApr 30, 2020 -
yank Public
Forked from choderalab/yankAn open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Python MIT License UpdatedApr 27, 2020 -
perses Public
Forked from choderalab/persesExperiments with expanded ensembles to explore chemical space
Python MIT License UpdatedApr 6, 2020 -
openmoltools Public
Forked from choderalab/openmoltoolsAn open set of tools for automating tasks relating to small molecules
Python MIT License UpdatedSep 14, 2019 -
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openpathsampling Public
Forked from openpathsampling/openpathsamplingAn open source Python framework for transition interface and path sampling calculations.
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iapetus Public
Forked from choderalab/iapetusOpen source toolkit for predicting bacterial porin permeation
Python MIT License UpdatedNov 13, 2018 -
iapetus-examples Public
Forked from choderalab/iapetus-examplesBacterial porin permeation calculation examples for iapetus
Python MIT License UpdatedOct 11, 2018 -
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USER-ATOMS Public
Forked from atoms-ufrj/USER-ATOMSA LAMMPS user package developed at ATOMS/UFRJ
C++ GNU General Public License v3.0 UpdatedNov 28, 2017 -
USER-ALCHEMICAL Public
Forked from atoms-ufrj/USER-ALCHEMICALA LAMMPS user package for alchemical free-energy calculations
C++ GNU General Public License v3.0 UpdatedNov 23, 2017 -
openmm-webbuilder Public
Forked from rmcgibbo/openmm-webbuilderJS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
JavaScript GNU General Public License v3.0 UpdatedNov 14, 2017 -