MolCRAFT / pre-requirements.txt
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absl_py==2.1.0
easydict==1.13
fire==0.6.0
gradio==4.36.1
gradio_molecule3d==0.0.5
imageio==2.34.1
lmdb==1.4.1
matplotlib==3.4.3
numpy==1.23.1
# openbabel==3.1.1.1
overrides==7.7.0
pytorch_lightning==2.0.8
PyYAML==6.0.1
PyYAML==6.0.1
rdkit==2023.9.5
scipy==1.9.3
torch==1.12.0
tqdm==4.64.0