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aiqm/torchani

@aiqm

TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained by the Roitberg group.

Stars
556
Forks
139
Language
Python
License
MIT
Last push
4 days ago
Pythondeep-learningneural-networkpytorchforce-fieldmolecular-simulationquantum-chemistryquantum-mechanics

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