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@schwallergroup

schwallergroup

Hey there, Welcome to LIAC!

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The Laboratory of Artificial Chemical Intelligence (LIAC) is part of the Institute of Chemistry and Chemical Engineering at Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.

The lab is led by Prof. Philippe Schwaller.


👩‍💻 Useful Resources

To learn more about our work, please visit our website at LIAC Website.

Thank you for your interest in LIAC. We look forward to collaborating with you and advancing the field of artificial chemical intelligence together!

Popular repositories Loading

  1. ai4chem_course ai4chem_course Public

    EPFL CH-457 "AI for chemistry"

    Jupyter Notebook 296 65

  2. saturn saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

    Python 92 12

  3. gollum gollum Public

    Python 92 10

  4. DynaMate DynaMate Public

    Python 79 13

  5. steer steer Public

    Python 55 3

  6. matinvent matinvent Public

    MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning

    Python 54 10

Repositories

Showing 10 of 91 repositories
  • saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

    schwallergroup/saturn's past year of commit activity
    Python 92 12 0 1 Updated Oct 23, 2026
  • DynaMate Public
    schwallergroup/DynaMate's past year of commit activity
    Python 79 MIT 13 0 1 Updated Oct 19, 2026
  • ElectroTS Public

    Long-horizon forecasting of electrolysis stability from early-stage operating data through temporal learning

    schwallergroup/ElectroTS's past year of commit activity
    Python 4 MIT 0 0 0 Updated Oct 19, 2026
  • schwallergroup/schwallergroup.github.io's past year of commit activity
    Lua 5 0 0 0 Updated Oct 14, 2026
  • ReactionJSON Public
    schwallergroup/ReactionJSON's past year of commit activity
    Python 0 0 0 0 Updated Oct 2, 2026
  • synth_strategy Public

    Repo for distillation of chemical knowledge into python code

    schwallergroup/synth_strategy's past year of commit activity
    Python 12 MIT 1 0 0 Updated Sep 28, 2026
  • MOFJSON Public

    MOF representation for LLMs

    schwallergroup/MOFJSON's past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Sep 25, 2026
  • CheMatE Public
    schwallergroup/CheMatE's past year of commit activity
    Python 6 MIT 0 0 0 Updated Sep 21, 2026
  • matinvent Public

    MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning

    schwallergroup/matinvent's past year of commit activity
    Python 54 MIT 10 1 0 Updated Sep 15, 2026
  • alice Public
    schwallergroup/alice's past year of commit activity
    Python 10 1 0 0 Updated Sep 15, 2026

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