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Dependencies
- biopython ==1.84
- click ==8.1.7
- datasets ==2.12.0
- fuse-med-ml ==0.3.0
- huggingface-hub ==0.25.1
- imageio ==2.35.1
- joblib ==1.3.2
- jsonargparse ==4.33.2
- litdata ==0.2.6
- lmdb ==1.4.1
- loralib ==0.1.2
- mplcursors ==0.5.3
- numpy ==1.26.4
- openbabel-wheel ==3.1.1.20
- pandas ==2.2.2
- pyarrow ==12.0.0
- rdkit-pypi ==2022.9.5
- regex ==2024.9.11
- setuptools ==69.5.1
- timm ==0.9.16
- torch ==2.1.0
- torch-geometric ==2.3.1
- torchvision ==0.16.0
- tqdm ==4.66.5
- transformers ==4.45.1
- xgboost ==2.0.3
- x-transformers ==1.27.19
14 optional dependencies
- altair[dev]
- coverage[dev]
- exmol[dev]
- jupyterlab[dev]
- jupyter-nbextensions-configurator[dev]
- memory-profiler[dev]
- nglview[dev]
- notebook[dev]
- nvitop[dev]
- pypdb[dev]
- pytest[dev]
- pytest-cov[dev]
- seaborn[dev]
- umap-learn[dev]