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Update README.md
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Eipgen authored Oct 31, 2023
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Expand Up @@ -186,7 +186,7 @@ AIRS is a collection of open-source software tools, datasets, and benchmarks ass
CCSD(T) potential for water, interfaced with TTM3-F
- [LeftNet](https://github.com/yuanqidu/LeftNet)
A New Perspective on Building Efficient and Expressive 3D Equivariant Graph Neural Networks
- [mlp-train](https://github.com/duartegroup/mlp-train)
- [mlp-train](https://github.com/duartegroup/mlp-train)
General machine learning potentials (MLP) training for molecular systems in gas phase and solution

## Semi-Empirical Method
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