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pypi.org "potential-energy" keyword

Top 5.3% on pypi.org
deepmd-kit 3.2.0
A deep learning package for many-body potential energy representation and molecular dynamics
67 versions - Latest release: 3 months ago - 2 dependent packages - 2 dependent repositories - 17.1 thousand downloads last month - 2,078 stars on GitHub - 1 maintainer
deepmd-kit-cu11 3.1.2
A deep learning package for many-body potential energy representation and molecular dynamics
19 versions - Latest release: 11 months ago - 45 downloads last month - 2,078 stars on GitHub - 1 maintainer
Related Keywords
deepmd 2 ase 2 c 2 computational-chemistry 2 cpp 2 cuda 2 deep-learning 2 ipi 2 jax 2 lammps 2 machine-learning-potential 2 materials-science 2 molecular-dynamics 2 nodejs 2 paddle 2 python 2 pytorch 2 rocm 2 tensorflow 2