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tm-spec

Third Matter Specification — declarative YAML metalanguage and toolchain for DFT/MLIP/MD calculations with sanity gates.

Ecosystem
pypi.org
Latest Release
0.3.0
5 months ago
Versions
2
Downloads
18 last month
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    Readme
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    Links
    Registry pypi.org
    Source Repository
    Homepage Homepage
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/tm-spec
    spec
    License MIT
    First Release 6 months ago
    Last Synced 20 days ago
    Keywords
    DFT molecular dynamics MLIP NEB umbrella sampling metadynamics reproducibility paper SI NOMAD YAML JSON Schema Fe-S minerals
    Repository
    Stars 0 on GitHub
    Forks 0 on GitHub
    repos.ecosyste.ms