This project forked from choderalab/modelforge
Infrastructure to implement and train NNPs
License: MIT License
This package is centered around the implementation and infrastructure to train, create, optimize and store neural network potentials (NNPs) effectively. Datasets will be provided to enable accurate training and validation of the neural network structures. The technical roadmap for the modelforge package is outlined in the wiki.
Copyright (c) 2023, Choderalab
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.
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