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vasp-mace

A VASP-like interface for running ML potential calculations with MACE

Ecosystem
pypi.org
Latest Release
2.9.2
3 months ago
Versions
14
Downloads
121 last month
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    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/vasp-mace
    spec
    License MIT
    First Release 7 months ago
    Last Synced about 1 month ago
    Keywords
    VASP MACE machine learning potential molecular dynamics NEB materials science
    Repository
    Stars 52 on GitHub
    Forks 5 on GitHub
    repos.ecosyste.ms