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torchmd-net

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State of the art Pytorch Neural Network Potentials (NNPs)

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::torchmd-net

Usage Tracking

2.4.11
2.4.10
2.4.8
2.4.6
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Total downloads: 0

Description

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

About

Summary

State of the art Pytorch Neural Network Potentials (NNPs)

Information Last Updated

Aug 27, 2025 at 20:45

License

MIT

Total Downloads

670.5K

Platforms

Linux aarch64 Version: 2.4.11
Win 64 Version: 2.4.11
Linux 64 Version: 2.4.11
macOS 64 Version: 2.4.11
macOS arm64 Version: 2.4.11