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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 32 9

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

   Scripts to generate conformers using RDKit

   Python 2