Gabe Gomes
@gabegomes.bsky.social
autonomous science & digital molecular designer | assistant professor @cmu with @gpggrp.bsky.social | https://gpggrp.com | https://aithera.ai | h(e/im), views my own
honestly, excellent summary!
October 3, 2025 at 1:07 AM
honestly, excellent summary!
Reposted by Gabe Gomes
A Perspective from @gabegomes.bsky.social and colleagues covers the opportunities for LLMs to advance chemical research and the challenges that must be overcome to effectively use LLMs as scientific partners. #chemsky
➡️ nature.com/articles/s43...
🔓 rdcu.be/etcqs
🧵(8/13)
➡️ nature.com/articles/s43...
🔓 rdcu.be/etcqs
🧵(8/13)
Rethinking chemical research in the age of large language models - Nature Computational Science
This Perspective highlights the potential integrations of large language models (LLMs) in chemical research and provides guidance on the effective use of LLMs as research partners, noting the ethical and performance-based challenges that must be addressed moving forward.
nature.com
September 24, 2025 at 4:51 PM
A Perspective from @gabegomes.bsky.social and colleagues covers the opportunities for LLMs to advance chemical research and the challenges that must be overcome to effectively use LLMs as scientific partners. #chemsky
➡️ nature.com/articles/s43...
🔓 rdcu.be/etcqs
🧵(8/13)
➡️ nature.com/articles/s43...
🔓 rdcu.be/etcqs
🧵(8/13)
preprint: arxiv.org/abs/2509.00103 [5/5]
Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers
Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentall...
arxiv.org
September 6, 2025 at 5:59 PM
preprint: arxiv.org/abs/2509.00103 [5/5]
access Iron Mind at gomes.andrew.cmu.edu/iron-mind/.
excellent work led CMU Ph.D. students Robert MacKnight (ChemE) with Jose Regio (Chemistry), in collaboration with our colleagues Jeffrey Ethier and Luke Baldwin from AFRL. [4/5]
excellent work led CMU Ph.D. students Robert MacKnight (ChemE) with Jose Regio (Chemistry), in collaboration with our colleagues Jeffrey Ethier and Luke Baldwin from AFRL. [4/5]
Home - Iron Mind | Iron Mind
gomes.andrew.cmu.edu
September 6, 2025 at 5:59 PM
access Iron Mind at gomes.andrew.cmu.edu/iron-mind/.
excellent work led CMU Ph.D. students Robert MacKnight (ChemE) with Jose Regio (Chemistry), in collaboration with our colleagues Jeffrey Ethier and Luke Baldwin from AFRL. [4/5]
excellent work led CMU Ph.D. students Robert MacKnight (ChemE) with Jose Regio (Chemistry), in collaboration with our colleagues Jeffrey Ethier and Luke Baldwin from AFRL. [4/5]
Iron Mind was developed to facilitate community engagement and set new benchmarks for optimization strategies and foundation models. it enables direct comparison of human, algorithmic, and LLM optimization campaigns on public leaderboards. [3/5]
September 6, 2025 at 5:59 PM
Iron Mind was developed to facilitate community engagement and set new benchmarks for optimization strategies and foundation models. it enables direct comparison of human, algorithmic, and LLM optimization campaigns on public leaderboards. [3/5]
our new preprint "Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers" demonstrates that LLMs consistently match or exceed state-of-the-art BO across diverse chemical reaction datasets. [2/5]
September 6, 2025 at 5:59 PM
our new preprint "Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers" demonstrates that LLMs consistently match or exceed state-of-the-art BO across diverse chemical reaction datasets. [2/5]
and the short film they made is also a beautiful piece of art on its own: youtu.be/4cjJ-b-W_7A?...
Deafheaven - Winona (Short Film)
YouTube video by Deafheaven
youtu.be
March 31, 2025 at 10:04 PM
and the short film they made is also a beautiful piece of art on its own: youtu.be/4cjJ-b-W_7A?...