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pypi.org "GPUMD" keyword

torchnep 1.0.7
PyTorch implementation of NEP (Neuroevolution Potential)
25 versions - Latest release: about 1 month ago - 1.65 thousand downloads last month - 11 stars on GitHub - 1 maintainer
pesmaker 0.1.0
Foundation-potential-assisted workflow for application-oriented machine-learning potential datase...
1 version - Latest release: 5 months ago - 11 downloads last month - 9 stars on GitHub - 1 maintainer
Related Keywords
NEP 1 interatomic-potential 1 machine-learning-potential 1 molecular-dynamics 1 neuroevolution-potential 1 pytorch 1 atomistic-modelling 1 machine-learning 1 mlip 1 atomistic simulation 1 machine-learned interatomic potentials 1 MACE 1 VASP 1