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Registration for the 2021 RDKit virtual UGM is now open: eventbrite.com/e/virtual-10th…

Work more efficiently by creating your own workflows, automating common tasks, expanding Flare™ with #Python modules and adding custom controls, includes RDKit bit.ly/36z2u18 #drugdiscovery #drugdesign #chemistry #computationalchemistry #compchem #biotech #pharma

The videos from #RDKitUGM2021 are now online: youtube.com/playlist?list=… Thanks, again, to all the speakers and active participants who made this another great UGM!

You can also watch the recording of @h_heberle and Christina Humer's talk about CIME at this year's RDKit UGM here: youtube.com/watch?v=s9d31A…

RDKit's ability to highlight substructure matches is great, though limited to 2D. For some molecules, it's easier to look at those matches in 3D. I made a little code snippet that does exactly that, perhaps someone finds it useful. gist.github.com/cisert/d05664d…

Delighted to introduce FEgrow: An Open-Source Molecular Builder and Free Energy Preparation Workflow! By Mateusz Bieniek BenCree Rachael Pirie Joshua Horton @drnataliej Now out on ChemRxiv #compchem: doi.org/10.26434/chemr… 🧵tweetorial...

If you are using (or interested in using) the RDKit Javascript wrappers, Michel Moreau is looking for feedback on them: github.com/rdkit/rdkit-js…

We're happy to announce that the next feature release of the #RDKit, v2022.09.1, is now available. Python binaries are available in pypi and conda-forge and the JS wrappers in NPM have been updated. The release notes are here: github.com/rdkit/rdkit/re…

There's a new #RDKit blog post with a short tutorial on descriptor calculation. greglandrum.github.io/rdkit-blog/pos…

Registration for #RDKitUGM2023, to be held in Mainz Germany from 20-22 September, is now open: eventbrite.com/e/12th-rdkit-u… This will, once again, be an in-person UGM with live streaming of the presentations.

The beta of the 2023.03 #RDKit release is now available. Release notes and instructions for how to "conda install" the beta are available here: github.com/rdkit/rdkit/di… Please give the beta a try and let us know if you find any problems.

The next major RDKit release, v2023.03.1 is finally here: github.com/rdkit/rdkit/re… Builds of the new version are up on conda-forge and NPM and I believe the pypi version will also be updated soon.

Here's a reminder that registration for the 2023 RDKit UGM in Mainz is still open. We also still have some slots open for speakers (there's a link from the registration page to submit a talk idea). eventbrite.com/e/12th-rdkit-u…

We're done here. Future "social" activity and announcements will be on mastodon or bsky (check the profile for the handles), the linkedin group, and github discussions.

Just poking my head up here to remind people that registration is open for #RDKitUGM2024, to be held in Zurich Switzerland from 11-13 September. The (free) registration link is here: eventbrite.com/e/13th-rdkit-u…