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@learningmatter-mit

Learning Matter @ MIT

Rafael Gomez-Bombarelli Group @ MIT

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  1. NeuralForceField NeuralForceField Public

    Neural Network Force Field based on PyTorch

    Jupyter Notebook 272 57

  2. geom geom Public

    GEOM: Energy-annotated molecular conformations

    Jupyter Notebook 226 29

  3. peptimizer peptimizer Public

    Peptide optimization with Machine Learning

    Jupyter Notebook 75 26

  4. PatentChem PatentChem Public

    Downloads USPTO patents and finds molecules related to keyword queries

    Python 61 5

  5. Atomistic-Adversarial-Attacks Atomistic-Adversarial-Attacks Public

    Code for performing adversarial attacks on atomistic systems using NN potentials

    Python 38 10

  6. uvvisml uvvisml Public

    Predict optical properties of molecules with machine learning.

    Jupyter Notebook 32 8

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