requirements.txt

gradio
gradio_molecule3d
setuptools==59.5.0
openmm==7.7
pdbfixer
lightning==2.*
biopython==1.79
numpy==1.21
PyYAML==5.4.1
requests
scipy==1.7
tqdm==4.62.2
typing-extensions
wandb==0.12.21
modelcif==0.7
awscli
ml-collections
aria2
rdkit==1.21
torch==2.3.0
dm-tree==0.1.6
git+https://github.com/NVIDIA/dllogger.git