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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 125 31

  2. mhnn mhnn Public

    Molecular Hypergraph Neural Network

    Python 25 2

  3. augmented_memory augmented_memory Public

    Forked from MolecularAI/Reinvent

    Augmented Memory and Beam Enumeration implementation

    Python 19 4

  4. saturn saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

    Python 16

  5. chaos chaos Public

    Jupyter Notebook 15 1

  6. fsscore fsscore Public

    Python 12

Repositories

Showing 10 of 47 repositories
  • fsscore Public
    schwallergroup/fsscore’s past year of commit activity
    Python 12 MIT 0 0 0 Updated Jul 25, 2024
  • liac-repo Public

    🍪 A cookiecutter template for the Laboratory of Artifical Chemical Intelligence (LIAC) at EPFL.

    schwallergroup/liac-repo’s past year of commit activity
    Python 0 MIT 1 0 1 Updated Jul 22, 2024
  • mhnn_plus Public

    improved version of MHNN (full hypergrah message passing & hypergraph attention)

    schwallergroup/mhnn_plus’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 22, 2024
  • saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

    schwallergroup/saturn’s past year of commit activity
    Python 16 0 0 0 Updated Jul 18, 2024
  • mhnn Public

    Molecular Hypergraph Neural Network

    schwallergroup/mhnn’s past year of commit activity
    Python 25 MIT 2 0 0 Updated Jul 9, 2024
  • RephrasingChemistry Public Forked from TugdualKerjan/RephrasingChemistry
    schwallergroup/RephrasingChemistry’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Jun 21, 2024
  • AdsMT Public
    schwallergroup/AdsMT’s past year of commit activity
    Python 2 0 0 0 Updated Jun 20, 2024
  • augmented_memory Public Forked from MolecularAI/Reinvent

    Augmented Memory and Beam Enumeration implementation

    schwallergroup/augmented_memory’s past year of commit activity
    Python 19 Apache-2.0 108 0 0 Updated Jun 9, 2024
  • practical-programming-in-chemistry-milestones Public
    schwallergroup/practical-programming-in-chemistry-milestones’s past year of commit activity
    2 90 0 15 Updated May 30, 2024
  • gradient_guided_hypotheses Public
    schwallergroup/gradient_guided_hypotheses’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated May 17, 2024
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