Incredibly proud to have played a small part in this massive effort, and very honored to be building automation infrastructure to support its successor effort @asap_discovery using @foldingathome for alchemical calculations! Thankful to the @choderalab for the opportunity. 🙏

What if you could tap into the computational power of thousands of volunteers worldwide to accelerate your drug discovery efforts? That’s exactly what we’ve done by integrating alchemiscale with Folding@Home! Read more: alchemiscale.org/advancement… #openscience #drugdiscovery

In October of 2025 we released alchemiscale v0.7.0, and followed this up with v0.7.1 and v0.7.2. We wanted to take a moment to highlight these releases, and the improvements they bring for @openfreeenergy users! alchemiscale.org/advancement… #compchem #opensource #alchemistry

As 2025 comes to a close, we'd like to solicit feedback from all alchemiscale users to help us determine where to prioritize effort in 2026! If you have a moment, share your thoughts in the discussion here: github.com/OpenFreeEnergy/al… Thanks! #compchem #alchemistry #opensource

Just found out that @DignityHealth in Arizona no longer takes *any* Marketplace insurance plans. So if you're self-employed, pay for your own insurance, and need to see a specialist who happens to be in their sprawling network, sucks to be you. "Hello Humankindness" indeed. 🫠

🦠 We’re excited to announce our first competition in partnership with @asap_discovery and @openmsf! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro: 🧩 Ligand Poses: Given a training set of SARS-CoV-2 Mpro X-ray structures, predict poses of a test set of compounds for SARS-CoV-2 and MERS-CoV Mpro 💥 Potency Prediction: Given a training set of dose-response fluorescence potency data, predict potencies for a blind set of compounds for both targets 🧪 ADMET Prediction: Given a training set of endpoints, predict the same endpoints for a blind set of compounds The competition will officially start on Jan 13th and end on Mar 10th Learn more about the competition and access to the sample data: polarishub.io/competitions Read the blog: polarishub.io/blog/antiviral…

I'm very pleased to announce the launch of #OpenADMET -- a new @openmsf project and part of a much larger #Avoidome initiative led by @fraser_lab @jchodera and @srikosuri , and funded by @ARPA_H.

Do you use alchemiscale in production? Or would you like to? We recently shared a perspective on the progress of the project, where we're currently focused, and the opportunities we see for advancement in 2025: alchemiscale.org/opportuniti… Let us know what you think! #drugdiscovery

Save the Date: bit.ly/FEWorkshop25 We are happy to announce the dates for the Free Energy Workshop 2025! Please fill out the above form to register your interest and you will receive all updates concerning registration and abstract submission! #Alchemistry2025

Gave an invited talk a few weeks back at @MSKCancerCenter on alchemiscale (github.com/openforcefield/al…), and how we're working to scale out alchemical free energy calculations to support open data antiviral discovery for @asap_discovery via @foldingathome.

I am so happy to see this. A big round of applause to the team for this heroic effort!!!

Delighted for @foldingathome to have helped with this exciting drug discovery achievement!

Probably the most important/impactful scientific paper Ive been part of. Very excited to continue this work with @asap_discovery as a member of the @jchodera lab. Also excited to work on @openfreeenergy to build a fully open source pipeline for binding free energy calculations

🚨ANNOUNCEMENT🚨 The @covid_moonshot is now published in @ScienceMagazine! The paper reflects the major contributions of the FAH community and a global network of scientists collaborating to make drug discovery open, globally accessible, and affordable scim.ag/4LB

I am my happiest when I am building something with clarity of purpose, aligned with my values.

And @dotsdl is wrapping up the morning session with discussing #alchemiscale as shared infrastructure created from a shared need between multiple projects.

We are proud to be a part of the ASAP <asapdiscovery.org/> Discovery team and do our best to pursue the development of new antivirals for future pandemics, (@asap_discovery). Many thanks to John @jchodera and the team for organizing this important meeting!

A desert gives the gift of clarity, vision.

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale #cheminformatics pubs.acs.org/doi/10.1021/acs… @joshhorton93 @Yoshanuikabundi @dotsdl @rvkrishnan30 @davidlmobley @jchodera @cressetgroup @ColeGroupNCL #vol62 #issue22 #JCIM #compchem

Creative work is an emotional rollercoaster. One minute you can feel inadequate and out of your depth, and the next like a damn savant.