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nequip

NequIP is an open-source code for building E(3)-equivariant interatomic potentials.

Ecosystem
pypi.org
Latest Release
0.19.1
2 months ago
Versions
28
Downloads
5,573 last month
Dependent Packages
1
Dependent Repos
7
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    Readme
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/nequip
    spec
    License Other
    First Release over 4 years ago
    Last Synced 3 days ago
    Keywords
    atomistic-simulations computational-chemistry deep-learning drug-discovery force-fields interatomic-potentials machine-learning materials-science molecular-dynamics pytorch
    Repository
    Stars 971 on GitHub
    Forks 220 on GitHub
    Docker Dependents 2
    Docker Downloads 104
    Commits 1339
    Committers 8
    Avg per Author 167.375
    DDS 0.393
    commits.ecosyste.ms
    repos.ecosyste.ms
    Rankings on pypi.org
    Overall Top 5.8%
    Downloads Top 9.5%
    Dependent packages Top 4.7%
    Dependent repos Top 5.6%
    Docker downloads Top 3.2%