alf_core
requests>=2.25.0
huggingface_hub<2.0,>=0.27.0
pyarrow>=22.0.0
jaxtyping>=0.3.5
torch>=2.10.0
gpytorch<2.0,>=1.9.0
scipy>=1.9.0
botorch<1.0,>=0.17.0

[chemprop]
chemprop<3.0.0,>=2.0.0

[esm2]
alf_tools[transformers]

[esmfold]
alf_tools[transformers]
accelerate>=0.26.0

[guacamol]
rdkit>=2022.9.0

[mlip]
mlip>=0.2.0

[mlip-cuda13]
mlip[cuda13]>=0.2.0

[molecule]
alf_tools[chemprop,guacamol,mlip]

[protein]
alf_tools[esm2,esmfold]

[transformers]
transformers>=4.36.0
