lobster-ai~=1.1.0
anndata>=0.9.0
numpy>=1.23.0
pandas>=1.5.0
scipy>=1.10.0
scikit-learn>=1.3.0
httpx>=0.24.0

[chemistry]
rdkit>=2023.03.1

[docking]
meeko>=0.5
vina>=1.2

[full]
lobster-drug-discovery[chemistry,docking,plm]

[plm]
transformers>=4.30
torch>=2.0
