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Achievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor
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@mosdef-hub
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Pinned

  1. MaginnGroup/Cassandra MaginnGroup/Cassandra Public

    Cassandra is a Monte Carlo package to conduct atomistic simulations.

    Fortran 35 20

  2. MaginnGroup/mosdef_cassandra MaginnGroup/mosdef_cassandra Public

    MoSDeF compatible wrapper for Cassandra Monte Carlo code

    Python 11 13

  3. ele ele Public

    A lightweight package with the periodic table of the elements

    Python 12 5

  4. constrainmol constrainmol Public

    Simple bond constraint solver

    Python 7 2

  5. resp_library resp_library Public

    Store and retrieve RESP/RESP2 partial charges for small molecules

    Python 4 1

  6. GenStrIde GenStrIde Public

    A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G for full details.

    Python 17 6