Catalogue tag

#nwchem

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.

3 records

Tagged “nwchem”Ranked by health index

PyPI · RubyGems

98Exceptionalhealth index

materialsproject/pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

Python · Polar★ 1,963↓ 763.4K/moSep 10, 2026

Custom licenseSep 10, 2026 · metrics 2.10.0

PyPI

94Exceptionalhealth index

materialsproject/pymatgen-core

Pymatgen Core

HTML · Lobster · Python★ 27↓ 708.2K/moSep 9, 2026

Custom licenseSep 9, 2026 · metrics 2.10.0

PyPI · RubyGems

91Excellenthealth index

materialsproject/custodian

A simple, robust and flexible just-in-time job management framework in Python.

Python★ 188↓ 90.9K/moOct 8, 2026

MITOct 8, 2026 · metrics 2.10.0