/tools/Neural-Network-Models-for-Chemistry

Neural-Network-Models-for-Chemistry

Eipgen/Neural-Network-Models-for-Chemistry

182 stars25 forksAdded February 4, 2026
summary

Neural-Network-Models-for-Chemistry is a repository that provides a variety of neural network models aimed at advancing computational chemistry. It includes methods for quantum chemistry, force fields, and molecular simulations, facilitating the prediction of molecular properties and behaviors.

description

A collection of Neural Network Models for chemistry

topics

deep-learningneural-networkschemistrydftmodelsqm-mmsemiempirical-methodsmachine-learning-density-functional-theorymachine-learning-molecular-force-fieldcomputational-chemistrycharge

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