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| Dependency | Optional | Group |
|---|---|---|
| numpy | false | |
| monkeytype | true | dev |
| pandas | true | test |
| pre-commit | true | dev |
| Package | Optional | Group |
|---|---|---|
| rmsd | true | qml |
| pytest | true | test |
| pytest-cov | true | test |
| pytest-timeout | true | test |
| pytest-xdist | true | test |
| ruff | true | dev |
| scipy | true | test |
| twine | true | dev |
| ty | true | dev |