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schwallergroup

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"

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  2. mhnn mhnn Public

    Molecular Hypergraph Neural Network

    Python 28 2

  3. augmented_memory augmented_memory Public

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  4. saturn saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

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  5. chaos chaos Public

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  6. fsscore fsscore Public

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Repositories

Showing 10 of 49 repositories
  • 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 Sep 30, 2024
  • minerva Public
    schwallergroup/minerva’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Sep 24, 2024
  • CycPepPerm Public
    schwallergroup/CycPepPerm’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Sep 23, 2024
  • AdsMT Public
    schwallergroup/AdsMT’s past year of commit activity
    Python 6 MIT 0 0 0 Updated Aug 23, 2024
  • saturn Public

    Sample-efficient Generative Molecular Design using Memory Manipulation

    schwallergroup/saturn’s past year of commit activity
    Python 20 1 0 0 Updated Aug 13, 2024
  • schwallergroup.github.io Public
    schwallergroup/schwallergroup.github.io’s past year of commit activity
    Lua 2 0 0 0 Updated Aug 12, 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 1 0 Updated Aug 6, 2024
  • rxnfp Public Forked from rxn4chemistry/rxnfp

    Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

    schwallergroup/rxnfp’s past year of commit activity
    HTML 0 MIT 40 0 0 Updated Aug 4, 2024
  • chaos Public
    schwallergroup/chaos’s past year of commit activity
    Jupyter Notebook 18 MIT 1 0 1 Updated Aug 4, 2024
  • mhnn Public

    Molecular Hypergraph Neural Network

    schwallergroup/mhnn’s past year of commit activity
    Python 28 MIT 2 0 0 Updated Jul 28, 2024
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