AlphaUncommon
aiqm/torchani
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.
- Owner
- aiqm (organization)
- Stars
- Stars: 567
- Forks
- Forks: 139
- Language
- Python
- License
- MIT
- Created
- 2018
- Topics
- deep-learningneural-networkquantum-mechanicsquantum-chemistrymolecular-simulationforce-fieldpytorch
- Tier
- Alpha (250 to 699 ★) What this tier means
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