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lamoureux-lab / TorchProteinLibrary

PyTorch library of layers acting on protein representations
https://lamoureux-lab.github.io/TorchProteinLibrary/
MIT License
116 stars 23 forks source link

Dev #38

Closed truzmeto closed 3 years ago

truzmeto commented 3 years ago

Implemented Element and Charmm atom types including unit tests (for forward pass only for now) for both.

truzmeto commented 3 years ago

Included backward test