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Apr 15, 2025
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(tiny) add graph-pes to README #149

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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -14,7 +14,7 @@ era. By rewriting the core primitives of atomistic simulation in Pytorch, it all
orders of magnitude acceleration of popular machine learning potentials.

* Automatic batching and GPU memory management allowing significant simulation speedup
* Support for MACE, Fairchem, SevenNet, ORB, MatterSim and metatensor MLIP models
* Support for MACE, Fairchem, SevenNet, ORB, MatterSim, graph-pes, and metatensor MLIP models
* Support for classical lennard jones, morse, and soft-sphere potentials
* Molecular dynamics integration schemes like NVE, NVT Langevin, and NPT Langevin
* Relaxation of atomic positions and cell with gradient descent and FIRE
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