# aiqm/torchani

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548 stars · 139 forks · Python · MIT

## Links

- GitHub: https://github.com/aiqm/torchani
- Homepage: https://aiqm.github.io/torchani/
- awesome-repositories: https://awesome-repositories.com/repository/aiqm-torchani.md

## Description

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.

## Tags

### Part of an Awesome List

- [Interatomic Potentials](https://awesome-repositories.com/f/awesome-lists/ai/interatomic-potentials.md) — Library for training and research of neural network potentials.
- [Data and Graph Processing](https://awesome-repositories.com/f/awesome-lists/data/data-and-graph-processing.md) — Neural network potentials for chemistry.
- [Developer Tools](https://awesome-repositories.com/f/awesome-lists/devtools/developer-tools.md) — Neural network potentials for chemistry.
- [To be Classified](https://awesome-repositories.com/f/awesome-lists/more/to-be-classified.md) — Listed in the “To be Classified” section of the The Incredible Pytorch awesome list.