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Dependencies
16 optional dependencies
- ipykernel[jupyter]
- ipykernel[all]
- jupyter-client[jupyter]
- jupyter-client[all]
- matplotlib[plot]
- matplotlib[all]
- openmm[all]
- openmm[md]
- rdkit[all]
- rdkit[bio]
- scipy[sci]
- scipy[all]
- torch-geometric[all]
- torch-geometric[ml]
- xarray[all]
- xarray[geo]