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1. learningmatter-mit/RLVacDiffSim learningmatter-mit/RLVacDiffSim Public

   Reinforcement learning driven simulation of vacancy diffusion

   Python 4 1

2. learningmatter-mit/SingleAtom-LocalEnv learningmatter-mit/SingleAtom-LocalEnv Public

   Active learning accelerated exploration of the single atom local environments in multimetallic systems for oxygen electrocatalysis

   Python 9

3. NeuralForceField NeuralForceField Public

   Forked from learningmatter-mit/NeuralForceField

   Neural Network Force Field based on PyTorch

   Jupyter Notebook

4. gocia gocia Public

   Forked from zishengz/gocia

   Global Optimizer for Clusters, Interfaces, and Adsorbates

   Python