Add equi- and invariant tests systems for the implemented models

choderalab / modelforge

Infrastructure to implement and train NNPs

https://modelforge.readthedocs.io/en/latest/

MIT License

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Closed wiederm closed 5 months ago

wiederm commented 8 months ago

Additional test systems are useful to make sure that vector properties are equivariant and skalar properties invariant to common symmetry operations

wiederm commented 5 months ago

This has been address in PR #49