torch
numpy
rdkit
requests
pandas
einops
mashumaro
modelcif
click
pyyaml
omegaconf
biopython
biotite
matplotlib
scipy
numba
gemmi
scikit-learn
chembl_structure_pipeline
hydride
pydssp
tqdm
rich
huggingface_hub<1.0
safetensors
transformers==4.57.6
zstd
msgpack-numpy
brotli
cloudpathlib
ttnn==0.68.0

[test]
pytest
