16 citations · 19 across the 3 of their papers we have counts for
3 papers
cs.AI2025★ 16 cited
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.LG2023★ 3 cited
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…
physics.chem-ph2023
Bloom filters for molecules
Jorge Medina, Andrew D White
Ultra-large chemical libraries are reaching 10s to 100s of billions of molecules. A challenge for these libraries is to efficiently check if a proposed molecule is present. Here we…