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@@ -363,6 +363,8 @@ PYSEQM is a Semi-Empirical Quantum Mechanics package implemented in PyTorch.
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MOPAC-ML implements the PM6-ML method, a semiempirical quantum-mechanical computational method that augments PM6 with a machine learning (ML) correction. It acts as a wrapper calling a modified version of MOPAC, to which it provides the ML correction.
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- [XpaiNN@xTB](https://github.com/X1X1010/XequiNet)
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A model can deal with optimization, and frequency prediction
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- [hotpp](https://gitlab.com/bigd4/hotpp)
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HotPP is an open-source package designed for constructing message passing network interatomic potentials. It facilitates the utilization of arbitrary order Cartesian tensors as messages while maintaining equivalence maintenance
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## Coarse-Grained Method
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