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@@ -271,7 +271,8 @@ Transformer Interatomic Potential (TrIP): a chemically sound potential based on
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A machine-learned molecular mechanics force field using a deep graph attentional network
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- [espaloma](https://github.com/choderalab/espaloma)
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Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm.
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- [FeNNol](https://github.com/thomasple/FeNNol)
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FeNNol is a library for building, training and running neural network potentials for molecular simulations. It is based on the JAX library and is designed to be fast and flexible.
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## Semi-Empirical Quantum Mechanical Method
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- [OrbNet; OrbNet Denali](https://arxiv.org/abs/2107.00299)

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