PyPI
deepmodeling/dpdata
A Python package for manipulating atomistic data of software in computational science
LGPL-3.0Oct 19, 2026 · metrics 2.10.0
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#lammps
Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.
4 records
PyPI
openforcefield/openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
MITSep 16, 2026 · metrics 2.10.0
PyPI
molssi-seamm/lammps_step
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Custom licenseOct 11, 2026 · metrics 2.10.0
PyPI
Marcello-Sega/pytim
a python package for the interfacial analysis of molecular simulations
GPL-3.0Oct 21, 2026 · metrics 2.10.0