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pypi.org "machine-learning-interatomic-potentials" keyword

View the packages on the pypi.org package registry that are tagged with the "machine-learning-interatomic-potentials" keyword.

mlip-arena 0.1.2
Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond error-b...
6 versions - Latest release: about 2 months ago - 76 downloads last month - 63 stars on GitHub - 1 maintainer
atomind-mlip 0.0.1
Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic e...
1 version - Latest release: over 1 year ago - 44 downloads last month - 63 stars on GitHub - 1 maintainer
Related Keywords
pytorch 2 huggingface 2 deep-learning 2 graph-neural-networks 2 benchmark-framework 1 interatomic-potentials 1 machine-learning 1 materials 1 molecules 1 quantum-chemistry 1