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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 29 repositories
  • 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 28 0 0 Updated Oct 20, 2025
  • gomesgroup/iron-mind-public’s past year of commit activity
    Python 3 MIT 1 0 0 Updated Sep 29, 2025
  • medusa Public Forked from Ananikov-Lab/medusa

    The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"

    gomesgroup/medusa’s past year of commit activity
    Jupyter Notebook 0 MIT 4 0 10 Updated Sep 25, 2025
  • ord_redesign Public
    gomesgroup/ord_redesign’s past year of commit activity
    CSS 0 0 0 1 Updated Aug 31, 2025
  • simg Public

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

    gomesgroup/simg’s past year of commit activity
    Python 31 9 2 1 Updated Aug 24, 2025
  • coscientist Public
    gomesgroup/coscientist’s past year of commit activity
    Python 181 29 3 0 Updated Aug 11, 2025
  • catnip Public
    gomesgroup/catnip’s past year of commit activity
    JavaScript 12 6 0 0 Updated Aug 8, 2025
  • boltz Public Forked from jwohlwend/boltz

    Official repository for the Boltz biomolecular interaction models

    gomesgroup/boltz’s past year of commit activity
    Python 0 MIT 668 0 1 Updated Aug 5, 2025
  • 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 12 0 0 Updated Jun 26, 2025
  • simg-app Public Forked from gomesgroup/simg

    Advancing Molecular Machine Learned Representations with Stereoelectronics-Infused Molecular Graphs

    gomesgroup/simg-app’s past year of commit activity
    Python 0 9 0 0 Updated Jun 4, 2025

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