Karmen Condic-Jurkic retweeted
The OpenADMET teams are cranking away. @jchodera @fraser_lab and I started to formalize the organization and we will have a lot more exciting news in the coming months. For now, here is the hello world blog post: openadmet.org/community/blog…
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.
If you want to know more about the big picture behind #Avoidome, check the press releases by UCSF:
tinyurl.com/mvnmrmzw and @OctantBio:
tinyurl.com/4mueds2b. Or, just stay in the app and read this thread by @srikosuri : xitter.cf/srikosuri/status/18494…
1/ We @OctantBio are excited to help start the OpenADMET consortium, catalyzed by this grant from @ARPA_H! We will build open datasets, competitions and ultimately foundation models for small molecule PK and safety properties. In the 🧵👇, I'll describe the problem & our approach
Finally, we will have some job openings related to this project coming up so stay tuned if you are interested in contributing to this exciting multi-institutional collaboration -- we can promise it will be anything but boring!
#opensource #openscience #opendata
Karmen Condic-Jurkic retweeted
1/ We @OctantBio are excited to help start the OpenADMET consortium, catalyzed by this grant from @ARPA_H! We will build open datasets, competitions and ultimately foundation models for small molecule PK and safety properties. In the 🧵👇, I'll describe the problem & our approach
Congrats, @fraser_lab! Up to $30M from @ARPA_H for AI-driven effort to speed drug discovery by mapping interactions that cause side effects, with @QBI_UCSF 's help. tiny.ucsf.edu/2oP8KT
Thanks @jchodera for a great overview of @openmsf, @openforcefield and @openfreeenergy! If you are interested in keeping up with @openmsf projects, consider signing up for our newsletter or just checking news.omsf.io. There's a lot going on and more to come!
Wow!
Just heard John Chodera of MSKCC make a great argument that a collection of open source tools are ready for prime time in drug discovery.
Boosting my conviction about the next wave of techbio:
Deep disease expertise + buffet of ML tools -> novel medicines 🚀
@jchodera
ALT slide screenshot about Open Molecular Software Foundation's open source ecosystem to accelerate drug discovery
Karmen Condic-Jurkic retweeted
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/acs…
Karmen Condic-Jurkic retweeted
Completely full house at BPDMC last night – thanks to @sokrypton for a brilliant tour and discussion of AlphaFold3 architecture, usage, and idiosyncrasies.
My notes below, ft. AF3 tips, tricks, and warnings shared by Sergey. 👇🏽 1/12
Join us this Wednesday, June 12th at 7pm for a special session where @sokrypton will walk us through what we need to know about #AlphaFold3
We'll be in the Cannon Room, Building C, @harvardmed
** Please note location change! **
bpdmc.org
So happy to be in Leiden for #OMSF 2nd in-person meeting! Big thank you to our community manager Zach Baker for organizing the event, and double thanks to @ChanZuckerberg Initiative for supporting 1) the community manager role and 2) the event itself!
#opensource #growth
Next is Wouter van Putter from @puxano discussing the value of open source models for startups, and his hope that Europe gets more competitive in the space of AI/protein modeling, all in the context of cryoEM.
Sheena Khuttan from @SandboxAQ is talking about all the use cases for @openforcefield FFs and technology in their drug discovery process.
A quick reminder that there's a great opportunity to work with @ColeGroupNCL and @openforcefield on everything #forcefield and the only standing between you and that position is a tiny bit of paperwork! #mariecurie
Passionate about force fields? Got great ideas for the future of force field design?
We are looking to support applicants to the @MSCActions Postdoctoral Fellowships scheme in collaboration with @openforcefield!
Check eligibility criteria below and get in touch if interested⬇️
Karmen Condic-Jurkic retweeted
If you were unable to join the @openforcefield workshop at the @ccpbiosim training week, you can find all the material with installation instructions here: github.com/openforcefield/cc…
Enjoy! #compchem
We should be all set for the @openforcefield workshop at the @ccpbiosim training week with @mwt_dev🤞 See you in Leeds / zoom tomorrow if you're registered! 💻