2 papers
cs.LG2025
Censoring chemical data to mitigate dual use risk
Quintina L. Campbell, Jonathan Herington, Andrew D. White
Machine learning models have dual-use potential, potentially serving both beneficial and malicious purposes. The development of open-source models in chemistry has specifically sur…
cs.AI2025
MDCrow: Automating Molecular Dynamics Workflows with Large Language Models
Quintina Campbell, Sam Cox, Jorge Medina +2
Molecular dynamics (MD) simulations are essential for understanding biomolecular systems but remain challenging to automate. Recent advances in large language models (LLM) have dem…