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Dependencies
- bokeh
- bravado
- deepchem ==2.8
- imbalanced-learn
- imblearn
- lightgbm
- lightning ==2.2.5
- maestrowf
- matplotlib
- matplotlib-venn
- mordred
- numpy <2
- optuna
- pyarrow
- pydantic <2,>=1.10
- pyyaml >=6.0
- rdkit ==2024.3.5
- scikit-learn ==1.2.2
- scipy >=1.10
- seaborn >=0.13.0
- setuptools
- umap-learn
- xgboost
32 optional dependencies
- dgl[cpu]
- dgl[rocm]
- dgl[mchip]
- dgl[cuda]
- dgllife[cpu]
- dgllife[cuda]
- dgllife[mchip]
- dgllife[rocm]
- ipython[docs]
- joblib[docs]
- pandas[docs]
- pygments[docs]
- sphinx[docs]
- sphinx-rtd-theme[docs]
- tensorflow[rocm]
- tensorflow[cuda]
- tensorflow[cpu]
- tensorflow-cpu[cpu]
- tensorflow-macos[mchip]
- tensorflow-metal[mchip]
- torch[mchip]
- torch[rocm]
- torch[cuda]
- torch[cpu]
- torchdata[mchip]
- torchdata[rocm]
- torchdata[cpu]
- torchdata[cuda]
- torch-geometric[mchip]
- torch-geometric[rocm]
- torch-geometric[cpu]
- torch-geometric[cuda]