🚨 Deadline coming up! 🎯 Don’t miss your chance to present at the #mdaUGM2025 — abstract + travel bursary applications due July 15! Meet the community, share your work, learn from others, and get support to attend. 🔗 Info: www.mdanalysis.org/pages/ugm2025/ #MDAnalysis #OSS #MolecularDynamics #UGM

Matthew Thompson now presenting a live joint demo at the @omsf.io workshop showing the amazing work you can do by combining OpenFF, OpenFE, OpenADMET, and OpenFold!

New paper from the Voelz Lab in @pccp.rsc.org! Goold et al. performed many parallel expanded ensemble free energy simulations on @foldingathome.org using GROMACS (@gromacs.bsky.social) with OpenFF 2.0 (@openforcefield.org) to make blind logP predictions in SAMPL9 doi.org/10.1039/D4CP...

If you're working in ML and free-energy calculations for drug discovery, #Pacifichem 2025 is still accepting abstracts for another two weeks!

A very common use case for our force fields is to simulate a protein-ligand system, using OpenFF parameters for the ligand and a protein-specific force field for the protein. Here's an example of how to set up and run a simulation like this: docs.openforcefield.org/en/latest/ex... #compchem

another open position! OpenADMET is looking for Research Software Engineers to help with some lifting. hit the jump to learn more! omsf.io/community/jo...

Using machine learning in binding free energy calculations for drug discovery? Share your work at our #Pacifichem symposium CLH019 "Machine learning for calculation of accurate protein-ligand binding free energies for drug discovery"! Abstracts close April 2. pacifichem.org/scientific-p...