Skip to content
@learningmatter-mit

Learning Matter @ MIT

Rafael Gomez-Bombarelli Group @ MIT

Popular repositories Loading

  1. NeuralForceField NeuralForceField Public

    Neural Network Force Field based on PyTorch

    Jupyter Notebook 281 61

  2. geom geom Public

    GEOM: Energy-annotated molecular conformations

    Jupyter Notebook 236 30

  3. peptimizer peptimizer Public

    Peptide optimization with Machine Learning

    Jupyter Notebook 77 26

  4. PatentChem PatentChem Public

    Downloads USPTO patents and finds molecules related to keyword queries

    Python 66 5

  5. liflow liflow Public

    Flow matching for accelerated simulation of atomic transport

    Python 46 1

  6. Atomistic-Adversarial-Attacks Atomistic-Adversarial-Attacks Public

    Code for performing adversarial attacks on atomistic systems using NN potentials

    Python 40 10

Repositories

Showing 10 of 50 repositories

Top languages

Loading…

Most used topics

Loading…