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This preprint from Riniker lab @ ETHZ has some nice comparison of our Sage force field with other force fields. Sage is performing quite well in their data! chemrxiv.org/engage/chemrxi…

We should be all set for the Open Force Field Initiative workshop at the CCPBioSim training week with Matt Thompson🤞 See you in Leeds / zoom tomorrow if you're registered! 💻

Researchers in Michael Shirts lab (including an undergrad researcher, Connor Davel!) have been adapting components of the Open Force Field Toolkit to parameterize general organic polymers for simulation, including heteropolymers. Check out the preprint! chemrxiv.org/engage/chemrxi…

Tim Duignan We've already built it, thanks to an awesome collaboration between MolSSI Open Force Field Initiative OpenMM! Check out the QCArchive, which contains millions of quantum chemical calculations already: qcarchive.molssi.org

Gave an invited talk a few weeks back at Memorial Sloan Kettering Cancer Center on alchemiscale (github.com/openforcefield…), and how we're working to scale out alchemical free energy calculations to support open data antiviral discovery for ASAP Discovery via Folding@home.

Interested in using OpenFF or getting more involved? We have some free virtual workshops coming up between February and April. Check out details on our website! docs.openforcefield.org/en/latest/work…

On Friday (April 5), the MolSSI QCArchive/OpenFF server logged over 1.09 million completed calculations in 24 hours--over 12 per sec, for creating better forcefields by Open Force Field Initiative. 🙏to the National Research Platform for supplying all the compute for this important endeavor!

Interested in OpenFF? Here's a great opportunity to get involved via one of our collaborators, the awesome Daniel Cole at Newcastle.

You can now read about some of Open Force Field Initiative's open research practices, including the industry benchmark and BespokeFit software development, in Joshua Horton's prize winning case study: ncl.ac.uk/mediav8/librar…

Interested in what OpenFF is doing, but hard to see the big picture from our individual publications? We just published a review/perspective in J Phys Chem B that summarizes/highlights recent work! pubs.acs.org/doi/10.1021/ac…

Interested in getting engaged with our code and tools? We ran a series of mini-workshops earlier this year and they're now available on our website! openforcefield.org/community/news… #CompChem

This is us, too! Check out footage from our recent workshop.