Matthieu Schapira
@mattschap
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Structural/computational chemistry - CACHE challenges - @mattschap.bsky.social
Toronto, Ontario
Joined October 2013
23 reposts on BlueSky vs 5 here. Just saying…😉
We are excited to announce publication of our latest BindingDB update paper! .
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RT @thesgconline: A well anticipated overview highlighting the first CACHE challenge, which brought together 23 research teams from 10 coun….
pubs.acs.org
The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE challenge in...
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RT @consciencemeds: Save the date for the second annual Conscience Symposium on Open Drug Discovery! Join us in Montreal on April 7-8, 2025….
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RT @ScienceMagazine: A new Science study presents “Evo”—a machine learning model capable of decoding and designing DNA, RNA, and protein se….
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RT @open_fold: #AlphaFold3 is open-source for academic use now! See what our partner, @MoAlQuraishi, has to say about our upcoming OpenFold….
nature.com
Nature - The code underlying the Nobel-prize-winning tool for modelling protein structures can now be downloaded by academics.
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RT @maxjaderberg: Excited to share that the AlphaFold 3 model code and weights are now available for academic use. Looking forward to seein….
github.com
AlphaFold 3 inference pipeline. Contribute to google-deepmind/alphafold3 development by creating an account on GitHub.
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RT @BiologyAIDaily: Critical Assessment of Protein Engineering (CAPE): A Student Challenge on the Cloud @ACSSynBio. 1. The CAPE challenge i….
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RT @BiologyAIDaily: Ab initio characterization of protein molecular dynamics with AI2BMD @Nature @MSFTResearch . 1. Introducing AI2BMD: Thi….
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All participants to CACHE challenges are invited to join the overview paper. CACHE#1 learnings: .-Workflows were diverse. -Most top methods included some ML. -Hits were weak: lots of room for improvement. @thesgconline @consciencemeds #compchem
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RT @aledmedwards: Does machine learning work on DEL datasets? Indeed it does. Sometimes.
pubs.acs.org
Target class-focused drug discovery has a strong track record in pharmaceutical research, yet public domain data indicate that many members of protein families remain unliganded. Here we present a...
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For SPR data aficionados, all data and sensorgrams generated at @thesgconline for thousands of CACHE #1 and CACHE #2 compounds are now available at . CACHE #3 data will be added next month. @consciencemeds #compchem #CACHE
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RT @ML_Chem: Practically significant method comparison protocols for machine learning in small molecule drug discovery. #machinelearning #c….
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RT @Shenvi_Lab: If you like total synthesis and Wordle, check out Synthordle, a retrosynthetic analysis game created by Shenvi Lab associat….
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RT @BiologyAIDaily: Smart data factory: Volunteer computing platform for active learning-driven molecular data acquisition. • The Smart Dat….
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RT @target2035: 🎙️ The Target 2035 podcast series is officially LIVE!.In our pilot episode, meet our hosts - @MilkaKostic, @LabScribbles an….
creators.spotify.com
Hello, listeners! In this pilot episode of our Target 2035 podcast series you will meet our incredible hosts - Rachel Harding, Opher Gileadi and Milka Kostic - as they give you an overview of what...
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RT @chaidiscovery: We've released a new version (v0.2.0) of the chai-lab Python package that makes it significantly easier to pass Multiple….
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RT @aledmedwards: There is a lot of interest in applying ML to DEL screening data. Here’s our open model applied to a real-world dataset, t….
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RT @BiologyAIDaily: Enabling Open Machine Learning of DNA-Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein….
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RT @LeoTZ03: The future of machine learning for small-molecule drug discovery will be driven by data | @NatComputSci Perspectives.- "we pr….
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