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Dependencies
- alf-core
- botorch <1.0,>=0.17.0
- gpytorch <2.0,>=1.9.0
- huggingface-hub <2.0,>=0.27.0
- jaxtyping >=0.3.5
- pyarrow >=22.0.0
- requests >=2.25.0
- scipy >=1.9.0
- torch >=2.10.0
8 optional dependencies
- accelerate[esmfold]
- alf-tools[molecule]
- alf-tools[protein]
- alf-tools[esmfold]
- alf-tools[esm2]
- chemprop[chemprop]
- rdkit[guacamol]
- transformers[transformers]