schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
SchNetPack - Deep Neural Networks for Atomistic Systems
To install this package, run one of the following:
SchNetPack aims to provide accessible atomistic neural networks that can be trained and applied out-of-the-box, while still being extensible to custom atomistic architectures.
Summary
SchNetPack - Deep Neural Networks for Atomistic Systems
Last Updated
Dec 19, 2025 at 19:30
License
MIT
Total Downloads
31.7K
Supported Platforms
GitHub Repository
https://github.com/atomistic-machine-learning/schnetpackDocumentation
https://schnetpack.readthedocs.io/