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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 293 61

  2. geom geom Public

    GEOM: Energy-annotated molecular conformations

    Jupyter Notebook 257 34

  3. AtomisticSkills AtomisticSkills Public

    Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Codex, Google Antigravity, Hermes Agent, etc)

    Python 173 28

  4. peptimizer peptimizer Public

    Peptide optimization with Machine Learning

    Jupyter Notebook 83 30

  5. PatentChem PatentChem Public

    Downloads USPTO patents and finds molecules related to keyword queries

    Python 78 8

  6. liflow liflow Public

    Flow matching for accelerated simulation of atomic transport

    Python 69 7

Repositories

Showing 10 of 56 repositories
  • AtomisticSkills Public

    Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Codex, Google Antigravity, Hermes Agent, etc)

    learningmatter-mit/AtomisticSkills's past year of commit activity
    Python 173 MIT 28 0 0 Updated Sep 28, 2026
  • alm Public

    Atomistic Language Models unify natural language and atomistics to understand, generate, and optimize materials. https://arxiv.org/abs/2606.21395

    learningmatter-mit/alm's past year of commit activity
    Python 6 Apache-2.0 0 0 0 Updated Sep 26, 2026
  • gulpy Public

    Python interface for the General Utility Lattice Program (GULP)

    learningmatter-mit/gulpy's past year of commit activity
    PLSQL 8 MIT 0 1 0 Updated Sep 14, 2026
  • VOID Public

    Library to dock molecules in crystal structures, including nanoporous materials

    learningmatter-mit/VOID's past year of commit activity
    Python 14 MIT 8 3 0 Updated Sep 14, 2026
  • packflow Public

    Molecular crystal structure prediction with flow matching and RL

    learningmatter-mit/packflow's past year of commit activity
    Python 11 MIT 0 0 0 Updated Sep 14, 2026
  • RLVacDiffSim Public

    Reinforcement learning driven simulation of vacancy diffusion

    learningmatter-mit/RLVacDiffSim's past year of commit activity
    Python 5 3 0 0 Updated Sep 11, 2026
  • ReactionGraphNeuralNetwork Public

    Graph Neural Network to predict the reaction related properties for reinforcement learning

    learningmatter-mit/ReactionGraphNeuralNetwork's past year of commit activity
    Python 4 MIT 0 0 0 Updated Aug 27, 2026
  • peptimizer Public

    Peptide optimization with Machine Learning

    learningmatter-mit/peptimizer's past year of commit activity
    Jupyter Notebook 83 MIT 30 0 0 Updated Aug 21, 2026
  • NeuralForceField Public

    Neural Network Force Field based on PyTorch

    learningmatter-mit/NeuralForceField's past year of commit activity
    Jupyter Notebook 293 MIT 61 4 1 Updated Jul 13, 2026
  • HiTPoly Public

    A platform for setting up high throughput polymer electrolyte MD simulations.

    learningmatter-mit/HiTPoly's past year of commit activity
    Python 23 MIT 4 0 1 Updated May 9, 2026
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