
Karmen Condic-Jurkic
@karmecon
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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.
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If you want to know more about the big picture behind #Avoidome, check the press releases by UCSF: .and @OctantBio: . Or, just stay in the app and read this thread by @srikosuri :
ucsf.edu
With the help of up to $30M in funding, researchers led by UCSF’s James Fraser, PhD, will use AI to map drug “anti-targets,” aiming to speed up drug development and reduce costs.
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.
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. and empower researchers to develop predictive AI models for pharmacokinetic optimization.".#OpenADMET will work on open source software and data infrastructure, and new ML/AI models in close collaboration with the experimental teams.
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#Avoidome aims to ". apply recent advances in experimental and computational techniques to generate a comprehensive open library of experimental and structural datasets. This precompetitive resource will provide valuable insights into the binding properties of "anti-targets". .
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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.
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RT @srikosuri: 1/ We @OctantBio are excited to help start the OpenADMET consortium, catalyzed by this grant from @ARPA_H! We will build ope….
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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 There's a lot going on and more to come!.
news.omsf.io
Open Molecular Software Foundation
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
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RT @openforcefield: Interested in what OpenFF is doing, but hard to see the big picture from our individual publications? We just published….
pubs.acs.org
Force fields are a key component of physics-based molecular modeling, describing the energies and forces in a molecular system as a function of the positions of the atoms and molecules involved....
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RT @ayushnoori: Completely full house at BPDMC last night – thanks to @sokrypton for a brilliant tour and discussion of AlphaFold3 architec….
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Sheena Khuttan from @SandboxAQ is talking about all the use cases for @openforcefield FFs and technology in their drug discovery process.
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The afternoon session is a showcase time for the application of #omsf to research problems. First is @asap_discovery with @Jenkescheen and @HugoMacdermott presenting a complex machine behind ASAP's predictive binding calculations. The list of people involved is impressive!
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@MoAlQuraishi is providing an overview of @open_fold and there's a lot to unpack in the space of protein structure prediction at the moment!
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@openforcefield @lilyminium Next comes @HighSpeedMode presenting keynote for @openfreeenergy -- the search for gold in this space has spanned at least two decades!
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We start with the @openforcefield keynote presented by @lilyminium about the recent developments in the world of #open force fields.
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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
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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⬇️.
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RT @ColeGroupNCL: If you were unable to join the @openforcefield workshop at the @ccpbiosim training week, you can find all the material wi….
github.com
Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week - openforcefield/ccpbiosim-2023
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RT @FrankvonDelft: We hiring two posts to @XChem_DLS and @asap_discovery, to develop next-gen methods in progressing fragment hits to poten….
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