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| Dependency | Optional | Group |
|---|---|---|
| monty | false | |
| numpy | false | |
| pymatgen | false | |
| scikit-learn | false |
| Package | Optional | Group |
|---|---|---|
| matbench-discovery | true | running-models |
| tqdm | false |
| h5py | true | model_saving |
| openbabel | true | molecules |
| rdkit | true | molecules |
| tensorflow | true | tensorflow |
| tensorflow-gpu | true | tensorflow_with_gpu |