01
the Gomes group
at Carnegie Mellon University
crunching bits into atoms since 2022
02
research
Innovation in organic chemistry and chemical biology through the development of machine learning and automated synthesis.
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latest papers
Transferable Machine Learning Interatomic Potential for Pd-Catalyzed Cross-Coupling Reactions
preprintGeneration of connections between protein sequence space and chemical space to enable a predictive model for biocatalysis
preprintVibrationally Assisted Tunneling through the Bread of a Proton Sandwich — Connections to Dynamic Matching
articleAutonomous chemical research with large language models
article04
tools
We believe in open science. Check out our latest tools and software on GitHub.
Visit Our GitHub05
thoughts
Explore our latest insights, ideas, and reflections on chemistry, machine learning, and the future of scientific discovery.
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Department of Chemistry
4400 Fifth Avenue
Pittsburgh, PA 15213
Department of Chemical Engineering
5000 Forbes Avenue
Pittsburgh, PA 15213