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polarishub.io
ML-ready datasets and benchmarks for drug discovery. https://polarishub.io
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Did you miss the cutoff for the last intermediate leaderboard of the antiviral challenge? We’re doing one last leaderboard update before the challenge ends on March 10th! Submit something by midnight, Feb 26th, to see how you place. Submit your results today: polarishub.io/competitions

submitted 2 days ago • 0 comments

Thanks to everyone who joined us last week! You can now watch the recording of the webinar: youtu.be/_ykP_tEVrOk

submitted 3 days ago • 0 comments

Reminder - this webinar is happening today at 11 AM ET! Join us live in ~40 minutes: us06web.zoom.us/webinar/regi...

submitted 6 days ago • 0 comments

Today, we’re excited to welcome Nicola Richmond (@recursionpharma.bsky.social), Michael Reutlinger (Roche), and Nils Weskamp (@boehringerglobal.bsky.social) to the Small Molecule Steering Committee at Polaris! Learn more about what the steering committee is up to: polarishub.io/guidelines

submitted 7 days ago • 1 comment

⚡ The intermediate leaderboard for the antiviral challenge is now live! 👀 See how you placed: antiviral.polarishub.io The challenge officially ends on March 10th, but there's one last leaderboard update before the final results. Submit before midnight on Feb 26th! polarishub.io/competitions

submitted 10 days ago • 1 comment

We’re hosting @peterskrinjar.bsky.social for a webinar to discuss his latest paper “Have protein co-folding methods moved beyond memorization?”! Join live on Feb 21st at 11 AM ET. Register here: us06web.zoom.us/webinar/regi... Explore Runs N’ Poses on Polaris today: polarishub.io/benchmarks/p...

submitted 14 days ago • 0 comments

We’re extremely excited to host Runs N’ Poses on Polaris! The authors show how current co-folding methods struggle to generalize beyond ligand poses in their training data. Explore the benchmark: polarishub.io/benchmarks/p... Explore the dataset: polarishub.io/datasets/pli...

submitted 17 days ago • 0 comments

Big milestone for @polarishub.io. We merged our first external contribution, thanks to @fastprop.bsky.social! 🎉 github.com/polaris-hub/... #opensource #benchmarking #ml #drugdiscovery

submitted 23 days ago • 1 comment

🚨 Extension Alert: The intermediate leaderboard submission deadline for the antiviral challenge has been extended to midnight on February 7th! Don't miss this chance to see how you stack up against other participants! Submit your results today: polarishub.io/competitions

submitted 27 days ago • 0 comments

You’ve heard us talk about our mission to be the source of truth for the ML community in drug discovery. But what does that really mean, and how does it shape the way Polaris is built? In the latest blog, we break down the key design choices that make this possible: polarishub.io/blog/reprodu...

submitted 28 days ago • 1 comment

Easy to get started on the antiviral challenge! I plan to submit some GP baselines from my PhD work (possibly with a collaborator).

submitted 32 days ago • 0 comments

While we gear up to welcome both Polaris and ASAP to our Symposium in April, they have been cooking up something special. They're releasing an intermediate leaderboard for the antiviral challenge on the 31st. So you (looking at #CACHEChallenge participants!) have a few days to get in a prediction!

submitted 31 days ago • 1 comment

💡Have questions about the data behind the antiviral challenge?💡 This week, @asapdiscovery.bsky.social and @omsf.io are hosting 3 virtual office hour sessions with the experimentalists behind the data! RSVP here: docs.google.com/forms/d/e/1F...

submitted 31 days ago • 1 comment

MassSpecGym is the largest publicly available collection of mass spectra data with 231K spectra for 29K unique molecular structures. 33% of the dataset was generated from newly measured, in-house data. 🛡️The dataset is now certified on Polaris! polarishub.io/datasets/rom... youtu.be/G8ZnVRm0ogc

submitted 34 days ago • 1 comment

📣 We heard your feedback! We’ll be putting all results submitted by Jan 31st on an intermediate leaderboard so you can see how you rank across other participants in the antiviral challenge. Ready to put your predictions to the test? 📨 Submit your results today: polarishub.io/competitions

submitted 35 days ago • 0 comments

It only takes a few lines of code to get started with the @asapdiscovery.bsky.social x @omsf.io antiviral challenge! In this short tutorial, we’ll show you how easy it is to login, load the challenge data, train a simple baseline model, and submit your predictions 🧵 youtu.be/KBZJFA_arAg

submitted 37 days ago • 1 comment

The NeurIPS speaker series continues! This time, we spoke with Elena Tutubalina, co-author of the ∇2DFT paper—a newly released large-scale dataset and benchmark for neural network potentials (NNPs). 🧵 youtu.be/Viw-fHtTjIk

submitted 42 days ago • 1 comment

Working on predictive models for drug discovery? Here's your chance to see how well your models actually work! Together with @polarishub.io and OpenADMET, we've launched a blind prospective challenge to see how well predictive models for drug discovery can actually predict real drug discovery data!

submitted 43 days ago • 0 comments

🏁 The antiviral challenge is live! 🏁 Ready to test your skills on new data? Hosted in partnership with @asapdiscovery.bsky.social and @omsf.io, we've prepared detailed notebooks showcasing how to format your data and submit your solutions. 🧑‍💻

submitted 44 days ago • 1 comment

🎥 At NeurIPS, we had the opportunity to chat with the authors of several dataset and benchmarking papers that are relevant to machine learning for drug discovery. First up—a quick interview with the team behind WelQrate! 🧵 youtu.be/pbatKLphJAE

submitted 48 days ago • 1 comment

🛠️ 10 Days Until the Antiviral Competition Begins🛠️ Hosted by @asapdiscovery.bsky.social and @omsf.io, the competition allows participants to test their skills across three sub-challenges focused on SARS-CoV-2 and MERS-CoV Mpro. Here’s how you can prepare effectively 👇

submitted 55 days ago • 1 comment

submitted 56 days ago • 0 comments

📊 Imagining the Future of ML Evaluation in Drug Discovery Our recent paper discussed the limitations of static leaderboards—they never tell the full story. What if we had a better and easier way of evaluating methods? A vision for the future, in the latest blog 🧵 polarishub.io/blog/imagini...

submitted 71 days ago • 1 comment