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| Dependency | Optional | Group |
|---|---|---|
| numpy | false | |
| vesin-torch | true | torch |
| Package | Optional | Group |
|---|---|---|
| metatomic-ase | false | |
| metatomic-torchsim | false | |
| metatrain | false | |
| zndraw | false | |
| molify | true | vesin |
| rdkit2ase | true | vesin |
| torch-sim-atomistic | true | vesin |
| torch-spex | true | dev |