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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, Google Antigravity, OpenClaw, etc)

    Python 164 24

  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 6

Repositories

Showing 10 of 55 repositories
  • RLVacDiffSim Public

    Reinforcement learning driven simulation of vacancy diffusion

    learningmatter-mit/RLVacDiffSim's past year of commit activity
    Python 4 3 0 0 Updated Sep 11, 2026
  • AtomisticSkills Public

    Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Google Antigravity, OpenClaw, etc)

    learningmatter-mit/AtomisticSkills's past year of commit activity
    Python 164 MIT 24 0 0 Updated Sep 3, 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 2 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
  • 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 5 Apache-2.0 0 0 0 Updated Jun 27, 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
  • FROMP-from-monomer Public

    Mechanism-based reaction-diffusion model to predict FROMP front propagation from monomer molecular descriptors.

    learningmatter-mit/FROMP-from-monomer's past year of commit activity
    Python 1 MIT 0 0 0 Updated Apr 20, 2026
  • ligpargen Public

    Update LigParGen version from Leela Sriram Dodda

    learningmatter-mit/ligpargen's past year of commit activity
    Python 0 0 1 0 Updated Mar 31, 2026
  • XRD-GD Public

    Code for XRD-based structure optimization that was used in the study presented in "The Loss Landscape of Powder X-Ray Diffraction-Based Structure Optimization Is Too Rough for Gradient Descent".

    learningmatter-mit/XRD-GD's past year of commit activity
    Python 9 MIT 0 0 0 Updated Mar 30, 2026
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