matgl (Materials Virtual Lab)
github.com/materialyzeai/matglGraph deep learning library for materials science powering the M3GNet universal interatomic potential across periodic-table elements, with property prediction, structure relaxation, and crystal generation workflows built on PyTorch and DGL (576+ stars, BSD-3-Clause, actively maintained)
Sourced from
- GitHub — github.com/materialyzeai/matgl
- Awesome AI for Science — github.com/materialyzeai/matgl
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Aims to provide useful high-level interfaces that make ML for materials science as easy as possible.