📢 Now out in #JCTC "A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic Molecules". Collaborative effort between @charlie-adams.bsky.social, @chemistryncl.bsky.social, @openforcefield.org & Kuano! #compchempubs.acs.org/doi/10.1021/…

— Cole Group (@colegroupncl.bsky.social) 2025-11-26T16:29:46.163Z

It's ligand-focussed day at the #CCPBioSim training week, and we've been using @openforcefield.org & @openmm.org to parameterise and run protein-ligand MD, and @mdanalysis.bsky.social & ProLIF for analysis! #compchem

— Cole Group (@colegroupncl.bsky.social) 2025-10-15T16:29:04.957Z