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.

03

latest papers

Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers

Spectral Manifold Harmonization for Graph Imbalanced Regression

Connecting chemical and protein sequence space to predict biocatalytic reactions

Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers

Spectral Manifold Harmonization for Graph Imbalanced Regression

Connecting chemical and protein sequence space to predict biocatalytic reactions

Rethinking Chemical Research in the Age of Large Language Models

View all papersview all publications

04

tools

We believe in open science. Check out our latest tools and software on GitHub.

Visit Our GitHub

05

thoughts

Explore our latest insights, ideas, and reflections on chemistry, machine learning, and the future of scientific discovery.

06

locations

CMU Campus

Department of Chemistry

4400 Fifth Avenue
Pittsburgh, PA 15213

Department of Chemical Engineering

5000 Forbes Avenue
Pittsburgh, PA 15213