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README.md

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 173 42

  2. mhnn mhnn Public

    Molecular Hypergraph Neural Network

    Python 34 3

  3. saturn saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

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  4. augmented_memory augmented_memory Public

    Forked from MolecularAI/Reinvent

    Augmented Memory and Beam Enumeration implementation

    Python 23 3

  5. practical-programming-in-chemistry-exercises practical-programming-in-chemistry-exercises Public

    Jupyter Notebook 21 10

  6. chaos chaos Public

    Jupyter Notebook 18 1

Repositories

Showing 10 of 61 repositories
  • practical-programming-in-chemistry-exercises Public
    schwallergroup/practical-programming-in-chemistry-exercises’s past year of commit activity
    Jupyter Notebook 21 MIT 10 2 0 Updated Mar 27, 2025
  • ai4chem_course Public

    EPFL CH-457 "AI for chemistry"

    schwallergroup/ai4chem_course’s past year of commit activity
    Jupyter Notebook 173 MIT 42 1 1 Updated Mar 26, 2025
  • ontorag Public
    schwallergroup/ontorag’s past year of commit activity
    Jupyter Notebook 5 MIT 1 1 1 Updated Mar 21, 2025
  • Rxn-INSIGHT Public Forked from mrodobbe/Rxn-INSIGHT

    Analyzing chemical databases and predicting reaction conditions with cheminformatics

    schwallergroup/Rxn-INSIGHT’s past year of commit activity
    Python 1 MIT 14 0 0 Updated Mar 20, 2025
  • copier-liac-minimal Public
    schwallergroup/copier-liac-minimal’s past year of commit activity
    Jinja 0 MIT 1 0 0 Updated Mar 16, 2025
  • steer Public
    schwallergroup/steer’s past year of commit activity
    Jupyter Notebook 16 MIT 1 0 1 Updated Mar 12, 2025
  • liacpc Public

    Scripts for LIAC workstations

    schwallergroup/liacpc’s past year of commit activity
    Shell 0 0 0 0 Updated Feb 28, 2025
  • boludo Public
    schwallergroup/boludo’s past year of commit activity
    Python 5 MIT 0 0 0 Updated Feb 9, 2025
  • qwen Public Forked from swiss-ai/nanotron

    Nanotron for Qwen models

    schwallergroup/qwen’s past year of commit activity
    Python 0 Apache-2.0 168 0 0 Updated Feb 7, 2025
  • schwallergroup.github.io Public
    schwallergroup/schwallergroup.github.io’s past year of commit activity
    Lua 4 0 0 0 Updated Dec 10, 2024
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