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@gomesgroup

the gomes group at CMU

chemical {designers | engineers | data scientists} crunching bits into matter since January 2022

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our philosophy

to try to solve challenges with societal impact by merging state-of-the-art artificial intelligence, chemical sciences & engineering, and automation.

the Gomes group is broadly interested in the development of novel reactions, catalysis and materials. we seek to solve these problems by combining state-of-the-art machine learning, computational chemistry, and experimental automation. our hope is a revolution in how chemistry is asked, explored and answered.

who we are

chemists, engineers, mathematicians, software developers, roboticists, physicists. in general, just very curious people from all over the world trying to tackle problems that can help us all live healthier and more prosperous lives.

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Repositories

Showing 10 of 19 repositories
  • simg Public

    Advancing Molecular Machine (Learned) Representations with Stereoelectronics-Infused Molecular Graphs

    gomesgroup/simg’s past year of commit activity
    Python 6 1 0 2 Updated Dec 19, 2024
  • gomesgroup/shannon_entropy’s past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated Dec 17, 2024
  • olympus Public Forked from aspuru-guzik-group/olympus

    Olympus: a benchmarking framework for noisy optimization and experiment planning

    gomesgroup/olympus’s past year of commit activity
    Jupyter Notebook 0 MIT 25 0 0 Updated Dec 11, 2024
  • atlas Public Forked from aspuru-guzik-group/atlas

    A brain for self-driving laboratories

    gomesgroup/atlas’s past year of commit activity
    Python 0 MIT 9 0 0 Updated Dec 11, 2024
  • golem Public Forked from aspuru-guzik-group/golem

    Golem: an algorithm for robust experiment and process optimization

    gomesgroup/golem’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Dec 11, 2024
  • simg_ir Public Forked from gomesgroup/simg
    gomesgroup/simg_ir’s past year of commit activity
    Python 0 1 0 0 Updated Nov 21, 2024
  • catnip Public
    gomesgroup/catnip’s past year of commit activity
    JavaScript 3 2 0 0 Updated Oct 29, 2024
  • sandwich Public
    gomesgroup/sandwich’s past year of commit activity
    Python 0 0 0 0 Updated Oct 20, 2024
  • .github Public
    gomesgroup/.github’s past year of commit activity
    1 0 0 0 Updated Sep 14, 2024
  • Auto3D_pkg Public Forked from isayevlab/Auto3D_pkg

    Auto3D generates low-energy conformers from SMILES/SDF

    gomesgroup/Auto3D_pkg’s past year of commit activity
    Python 1 MIT 36 0 0 Updated Aug 27, 2024

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