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@LLNL @mkite-group @digital-synthesis-lab

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  1. quests quests Public

    Quick Uncertainty and Entropy via STructural Similarity

    Python 30 3

  2. mkite-group/mkite_core mkite-group/mkite_core Public

    Core functions for mkite

    Python 3 1

  3. learningmatter-mit/Atomistic-Adversarial-Attacks learningmatter-mit/Atomistic-Adversarial-Attacks Public

    Code for performing adversarial attacks on atomistic systems using NN potentials

    Python 31 9

  4. digital-synthesis-lab/conformers digital-synthesis-lab/conformers Public

    Scripts to generate conformers using RDKit

    Python 2