2 papers
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…
cs.LG2024
Active Learning in Symbolic Regression with Physical Constraints
Jorge Medina, Andrew D. White
Evolutionary symbolic regression (SR) fits a symbolic equation to data, which gives a concise interpretable model. We explore using SR as a method to propose which data to gather i…