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@durrantlab @keithgroup @oasci

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aalexmmaldonado/README.md

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  1. oasci/reptar oasci/reptar Public

    Compute, store, and analyze manuscript-scale data for computational chemistry and biology

    Python 8 4

  2. keithgroup/mbGDML keithgroup/mbGDML Public

    Create, use, and analyze machine learning potentials within the many-body expansion framework.

    Python 10 1

  3. cclib/cclib cclib/cclib Public

    Parsers and algorithms for computational chemistry logfiles

    Python 334 168

  4. oasci/obsidian-bibtex-adder oasci/obsidian-bibtex-adder Public archive

    Add BibTeX entries from DOIs using the Crossref REST API.

    TypeScript 1