# torchmd/torchmd-net

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477 stars · 96 forks · Python · MIT

## Links

- GitHub: https://github.com/torchmd/torchmd-net
- awesome-repositories: https://awesome-repositories.com/repository/torchmd-torchmd-net.md

## Description

TorchMD-NET provides state-of-the-art neural networks potentials (NNPs) and a mechanism to train them. It offers efficient and fast implementations if several NNPs and it is integrated in GPU-accelerated molecular dynamics code like ACEMD, OpenMM and TorchMD. TorchMD-NET exposes its NNPs as…

## Tags

### Part of an Awesome List

- [Interatomic Potentials](https://awesome-repositories.com/f/awesome-lists/ai/interatomic-potentials.md) — Training neural network potentials using transformer architectures.