Learning Matter @ MIT
Rafael Gomez-Bombarelli Group @ MIT
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NeuralForceField
NeuralForceField PublicNeural Network Force Field based on PyTorch
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PatentChem
PatentChem PublicDownloads USPTO patents and finds molecules related to keyword queries
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Atomistic-Adversarial-Attacks
Atomistic-Adversarial-Attacks PublicCode for performing adversarial attacks on atomistic systems using NN potentials
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- ReactionGraphNeuralNetwork Public
Graph Neural Network to predict the reaction related properties for reinforcement learning