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/chemrxi…

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/workshop2022/ Looking forward to your contributions!

CDK 2.8 is out! github.com/cdk/cdk/releas…

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

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-c…

🚨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

⁦Royal Australian Chemical Institute⁩ ⁦RACI NSW⁩ jobs.employmenthero.com/jobs/organisat…

Looks interesting: hubs.ly/Q01mQzH30

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…

It's back! AI in Drug Discovery 2022 - A Highly Opinionated Literature Review practicalcheminformatics.blogspot.com/2023/01/ai-in-…

Ranking Peptide Binders by Affinity with AlphaFold (Perez) @Al Perez, Liwei Chang onlinelibrary.wiley.com/doi/10.1002/an…

Results from new detector for THERMO FISHER-SCI 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

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.blogspot.com/2023/08/we-nee…

The Christmas season is full of joyful anticipation🎄 Mark your calendars for our 6th Online Mini-Symposium🥳 Registration open: uni-muenster.de/Chemie.oc/glor… #community #MachineLearning

mongodb.com/blog/post/spot…

Pending AI has been invited to participate in the Amazon Web Services and Peak XV Partners Generative AI United States Delegation in Palo Alto, California this week. Our Vice President, Business Development, David Almeida Cardoso, PhD, is in attendance.

Australia-based Pending AI 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

AQuaRef: Machine learning accelerated quantum refinement of protein structures biorxiv.org/content/10.110…

Very exciting to share: AQuaRef- #CryoEM and XRD protein structure refinement with #MachineLearning #QM Teamwork by Malgorzata Biczysko Kavindri Ranasinghe Roman Zubatyuk Adrian Roitberg 🏳️‍⚧️ Mark Waller Holger Kruse Pending AI and Berkeley Lab Research team 💪 biorxiv.org/content/10.110… #compchem