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remedi

Smooth, chiral 3D molecular descriptors from atomistic foundation models

Ecosystem
pypi.org
Latest Release
0.1.1
4 months ago
Versions
2
Downloads
24 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/remedi
    spec
    License Apache-2.0
    First Release 4 months ago
    Last Synced about 1 month ago
    Keywords
    cheminformatics chirality equivariant mace machine-learned-interatomic-potentials molecular-descriptors machine-learning materials-science molecular-modeling quantum-chemistry representation-learning
    Repository
    Stars 19 on GitHub
    Forks 1 on GitHub
    repos.ecosyste.ms