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alchemlyb Public
Forked from alchemistry/alchemlybthe simple alchemistry library
Python BSD 3-Clause "New" or "Revised" License UpdatedMay 23, 2024 -
dpdata Public
Forked from deepmodeling/dpdataManipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Python GNU Lesser General Public License v3.0 UpdatedJan 21, 2024 -
chemprop Public
Forked from chemprop/chempropMessage Passing Neural Networks for Molecule Property Prediction
Python MIT License UpdatedJul 8, 2023 -
alchemtest Public
Forked from alchemistry/alchemtestthe simple alchemistry test set
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 8, 2023 -
Flappy_Bird Public
A practice implementation of reinforcement learning with PARL framework
Python UpdatedJul 1, 2020 -
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C++ Other UpdatedNov 1, 2019 -
deepchem Public
Forked from deepchem/deepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python MIT License UpdatedSep 17, 2019 -
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