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pypi.org "machine learning potential" keyword

flmlip 0.1.0
Absolute free energies of solids from foundation model interatomic potentials, by Frenkel Ladd no...
1 version - Latest release: 2 months ago - 1 maintainer
fennol 2026.6.29
FeNNol: Force-field-enhanced Neural Network optimized library
11 versions - Latest release: 4 months ago - 467 downloads last month - 90 stars on GitHub - 1 maintainer
vasp-mace 2.9.2
A VASP-like interface for running ML potential calculations with MACE
14 versions - Latest release: 3 months ago - 121 downloads last month - 52 stars on GitHub - 1 maintainer
Related Keywords
molecular dynamics 2 MOF 1 free energy 1 frenkel ladd 1 phonons 1 thermodynamic integration 1 jax 1 force field 1 VASP 1 MACE 1 NEB 1 materials science 1