This study has been two years in the making and the results have already been widely discussed and compared against, but the paper is finally out in JCIM today!
pubs.acs.org/doi/10.1021/...
openfe now supports simulations of membrane proteins!
openfree.energy/science/upda...
See you in Bristol this summer! Our Science Lead @ialibay.bsky.social will be at the CCPBioSim Biomolecular Simulation Conference, July 6-8th, to talk about OpenFE. shop.bris.ac.uk/conferences-...
'Alchemical' was not an allowed word in the NYT 'Spelling Bee' today.
Modern molecular modeling needs a new mode of software development. Consortia like Open Free Energy build shared tools and release code under open licenses. @omsf.io aligns incentives across stakeholders, enabling an ecosystems that elevates the entire community. pubs.acs.org/doi/10.1021/...
Check out the recent webinar that our own Alyssa Travitz gave to @sbgrid.bsky.social, introducing our software!
youtu.be/nCvg13F9Pco
We’re pleased to announce the 2026 OpenFF Virtual Workshops! Please join us in March and April for workshops on:
- Simulating Post-Translationally Modified Proteins with the OpenFF Rosemary Alpha
- Fitting a SMIRNOFF Force Field with PyTorch
Details linked:
docs.openforcefield.org/en/latest/wo...
Accurately measuring compound binding affinities is key to driving the pharmaceutical development process. Rigorous physics-based in silico approaches, particularly alchemical free energy methods, hav...
pubs.acs.org
Join our software webinar on February 10th to hear from Alyssa Travitz of the @omsf.io on @openfree.energy: An Open Source Ecosystem for Calculating Free Energies.
Tuesday, February 10, 2026 - 12:00pm ET
Register here: buff.ly/N7AYdjp
#SBGrid #Webinars #StructuralBiology
What if you could tap into the computational power of thousands of volunteers worldwide to accelerate your drug discovery efforts? That’s what we’ve done by integrating alchemiscale and @openfree.energy with Folding@Home!
Read more: alchemiscale.org/advancements...
#openscience #drugdiscovery
Hey folks, @omsf.io is hiring a UX Engineer, our first in the org! We are looking for someone to work with us to build new experiences for computational chemists on a part-time contract basis! If this sounds cool, please apply! We would love to have you! omsf.io/community/jo...
Open Free Energy
Open Free Energy
Open Free Energy
Open Free Energy
Michael Shirts
Open Force Field
David L. Dotson
SBGrid Consortium
shop.bris.ac.uk
The increasing importance and predictive power of modern molecular modeling, driven by physics- and machine-learning-based methods, necessitates a new collaborative architecture to replace the isolate...
The SBGrid Consortium is an innovative global research computing group operated out of Harvard Medical School. SBGrid provides the global structural biology community with support for research…
The Open Molecular Software Foundation (OMSF) builds open-source infrastructure and tooling for computational molecular science. We’re looking for a UX Engineer who can ship polished, usable web exper...
