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README.md

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@@ -188,7 +188,8 @@ AIRS is a collection of open-source software tools, datasets, and benchmarks ass
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A New Perspective on Building Efficient and Expressive 3D Equivariant Graph Neural Networks
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- [mlp-train](https://github.com/duartegroup/mlp-train)
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General machine learning potentials (MLP) training for molecular systems in gas phase and solution
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- [ARROW-NN](https://github.com/freecurve/interx_arrow-nn_suite)
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The simulation conda package contains the InterX ARBALEST molecular dynamics simulation software along with all the necessary database files to run ARROW-NN molecular simulations
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## Semi-Empirical Method
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- [OrbNet](https://arxiv.org/abs/2107.00299)

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