Pending AI retweeted
Very exciting to share: AQuaRef- #CryoEM and XRD protein structure refinement with #MachineLearning #QM Teamwork by @MalgoBiczysko @Kavi_Dil @Zubatyuk @adrian_roitberg @waller_lab @hokru_science @PendingAI and @LBNLresearch team 💪
biorxiv.org/content/10.1101/… #compchem
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Australia-based @PendingAI is breaking barriers in pharmaceutical research. But they hit a roadblock: managing exceptionally large amounts of data in the chemical space. Discover how #MongoDB came to the rescue, speeding up their research and development.
mongodb.social/6011nf3kF
Pending AI retweeted
The Christmas season is full of joyful anticipation🎄
Mark your calendars for our 6th Online Mini-Symposium🥳
Registration open: uni-muenster.de/Chemie.oc/gl…
#community #MachineLearning
Pending AI retweeted
The latest Practical Cheminformatics post, "We Need Better Benchmarks for Machine Learning in Drug Discovery", turned into a bit of a rant, but I had a lot I needed to say. #might_ruffle_some_feathers
practicalcheminformatics.blo…
Pending AI retweeted
Results from new detector for @thermofishersci Tundra #CryoEM .
Do I see some donuts?
Join us on 7/13 at ter.li/vbj3dn to hear more about how we did it.
Movie credit @lingboyu
Pending AI retweeted
Ranking Peptide Binders by Affinity with AlphaFold (Perez) @Al Perez, @liwei_chang_ onlinelibrary.wiley.com/doi/…
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It's back!
AI in Drug Discovery 2022 - A Highly Opinionated Literature Review
practicalcheminformatics.blo…
Pending AI retweeted
The ELLIS ML4Molecules workshop will also happen this year on November 28 in VIRTUAL format!
Please find the announcement and the call for papers here: moleculediscovery.github.io/…
Looking forward to your contributions!
Pending AI retweeted
Would you like to know more about some of the research topics we work on in the Game Theory and Multi-Agent team at DeepMind? Check out our recent paper, part of the special issue on Multi-agent systems research in the United Kingdom (AI Communications) arxiv.org/pdf/2209.10958.pdf
Pending AI retweeted
New @ChemRxiv preprint: "Auto3D: Automatic Generation of the Low-energy 3D Structures with ANI Neural Network Potentials" Contnued collaboration with @adrian_roitberg #compchem #MachineLearning chemrxiv.org/engage/chemrxiv…
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🚨REMINDER! The $19.75M CTCM Program funding round is now open offering between $250,000 to $1.5 million to Australian SMEs for eligible medical device projects. Apply by 7 October 2022 at 4 pm AEDT. More info here👉 bit.ly/3AUd3uo
Pending AI retweeted
Register for the free #OneDaySeminar on Wed 12 Oct to learn how to navigate Australia’s healthcare system;
Learn how to engage stakeholders, develop relationships & integrate new technologies into the system.
Attend in-person or online hubs.li/Q01mfPxY0
Pending AI retweeted
I can't believe that our book “Quantum Chemistry in the Age of Machine Learning” is finally out!
I can't express enough my gratitude to everyone involved!
dr-dral.com/book-quantum-che…
Pending AI retweeted
CDK 2.8 is out! github.com/cdk/cdk/releases/…
Pending AI retweeted
We develop a new #MachineLearning scheme for protein pKa. It is based on representation learning & combines atomic environment vector (AEV) and learned QM representation from ANI-2x neural network potential. Our latest paper in @ChemicalScience pubs.rsc.org/en/content/arti… #compchem
Pending AI retweeted
A machine-learning model as Mat2Spec based on probabilistic embedding enables to predict materials’ phonon density of states and electronic density of states instead of single scalar properties go.nature.com/3H1KYCp #mlchem#compchem @johnmgregoire @Caltech @BerkeleyLab @Cornell
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Our ML seminar @EPFL_CHEM_Tweet starts again tomorrow at 15.15 with a talk by @jmhernandez233
memento.epfl.ch/event/machin…
Pending AI retweeted
Let me introduce to you our new Christmas submission: BuRNN 🔥 A QM/MM approach with neural networks. Wonderful collaboration with @mms_boku @BettinaLier @marquetand and my first manuscript as corresponding author @MoltagDK @FWF_at #compchem #deeplearning
arxiv.org/abs/2112.11395
Pending AI retweeted
Welcoming postdoc openings for #MachineLearning in Statistical Physics and/or #quantum Physics / Chemistry. Pls Email [email protected] or DM with CV+publications+1-2 refs. #postdocposition #AcademicTwitter @jhrmnn @CecClementi @bifoldberlin @FU_Berlin