Polaris
@polarishub.io
ML-ready datasets and benchmarks for drug discovery.
https://polarishub.io
https://polarishub.io
(1/3) 🎉 Exciting Updates: Antiviral Unblinded Datasets! 🎉
Following the release of the ASAP Discovery x OpenADMET antiviral challenge leaderboard, the evaluation code is now open-sourced and the unblinded datasets are available on Polaris.
Unblinded Datasets: polarishub.io/datasets?acc...
Following the release of the ASAP Discovery x OpenADMET antiviral challenge leaderboard, the evaluation code is now open-sourced and the unblinded datasets are available on Polaris.
Unblinded Datasets: polarishub.io/datasets?acc...
April 29, 2025 at 11:06 PM
(1/3) 🎉 Exciting Updates: Antiviral Unblinded Datasets! 🎉
Following the release of the ASAP Discovery x OpenADMET antiviral challenge leaderboard, the evaluation code is now open-sourced and the unblinded datasets are available on Polaris.
Unblinded Datasets: polarishub.io/datasets?acc...
Following the release of the ASAP Discovery x OpenADMET antiviral challenge leaderboard, the evaluation code is now open-sourced and the unblinded datasets are available on Polaris.
Unblinded Datasets: polarishub.io/datasets?acc...
and Rob Moccia (formerly Pfizer), Cuong Q. Nguyen (formerly GSK), Nate Robichaud (Nomic), William J. Godinez (Novartis), Tommaso Biancalani (Genentech), and Kristina Ulicna (Valence Labs). 🧵
April 8, 2025 at 6:06 PM
and Rob Moccia (formerly Pfizer), Cuong Q. Nguyen (formerly GSK), Nate Robichaud (Nomic), William J. Godinez (Novartis), Tommaso Biancalani (Genentech), and Kristina Ulicna (Valence Labs). 🧵
Led by experts from academia and industry, the committee includes: Oren Kraus (Recursion), Judith Mueller (Merck), Ali Denton (Valence Labs), Fabian J. Theis (Helmholtz Munich), Paula A. Marin Zapata (Bayer), Anne E. Carpenter (Broad Institute), Ian Barrett (AstraZeneca)... 🧵
April 8, 2025 at 6:06 PM
Led by experts from academia and industry, the committee includes: Oren Kraus (Recursion), Judith Mueller (Merck), Ali Denton (Valence Labs), Fabian J. Theis (Helmholtz Munich), Paula A. Marin Zapata (Bayer), Anne E. Carpenter (Broad Institute), Ian Barrett (AstraZeneca)... 🧵
We're thrilled to announce the formation of the new Multiomics Steering Committee!
By "multiomics" we refer to the integration of high-dimensional data modalities at the cellular level, encompassing molecular (DNA, RNA, protein) and phenotypic (imaging-based, multi-cell-line viability) readouts. 🧵
By "multiomics" we refer to the integration of high-dimensional data modalities at the cellular level, encompassing molecular (DNA, RNA, protein) and phenotypic (imaging-based, multi-cell-line viability) readouts. 🧵
April 8, 2025 at 6:06 PM
We're thrilled to announce the formation of the new Multiomics Steering Committee!
By "multiomics" we refer to the integration of high-dimensional data modalities at the cellular level, encompassing molecular (DNA, RNA, protein) and phenotypic (imaging-based, multi-cell-line viability) readouts. 🧵
By "multiomics" we refer to the integration of high-dimensional data modalities at the cellular level, encompassing molecular (DNA, RNA, protein) and phenotypic (imaging-based, multi-cell-line viability) readouts. 🧵
🔔 Stay Updated!
For future challenges & collaborative opportunities, subscribe to our mailing list.
✉️ polarishub.io#subscribe-to...
For future challenges & collaborative opportunities, subscribe to our mailing list.
✉️ polarishub.io#subscribe-to...
March 21, 2025 at 4:24 PM
🔔 Stay Updated!
For future challenges & collaborative opportunities, subscribe to our mailing list.
✉️ polarishub.io#subscribe-to...
For future challenges & collaborative opportunities, subscribe to our mailing list.
✉️ polarishub.io#subscribe-to...
🚀 Antiviral Challenge Results! 🚀
After weeks of competition, and nearly 400 submissions, the antiviral challenge has concluded!
Thank you to all of our participants. Each submission came with a report — check out the full leaderboard and find more details 👇
After weeks of competition, and nearly 400 submissions, the antiviral challenge has concluded!
Thank you to all of our participants. Each submission came with a report — check out the full leaderboard and find more details 👇
March 21, 2025 at 4:24 PM
🚀 Antiviral Challenge Results! 🚀
After weeks of competition, and nearly 400 submissions, the antiviral challenge has concluded!
Thank you to all of our participants. Each submission came with a report — check out the full leaderboard and find more details 👇
After weeks of competition, and nearly 400 submissions, the antiviral challenge has concluded!
Thank you to all of our participants. Each submission came with a report — check out the full leaderboard and find more details 👇
📢 Antiviral Challenge Deadline Extended! 🦠
We’ve extended the deadline for the Antiviral Challenge until March 14th at 12:00 PM ET!
💡 To be eligible for the final leaderboard, you’ll need to share a short (~1 page) report about your method.
Submit here: polarishub.io/competitions
We’ve extended the deadline for the Antiviral Challenge until March 14th at 12:00 PM ET!
💡 To be eligible for the final leaderboard, you’ll need to share a short (~1 page) report about your method.
Submit here: polarishub.io/competitions
March 9, 2025 at 6:15 PM
📢 Antiviral Challenge Deadline Extended! 🦠
We’ve extended the deadline for the Antiviral Challenge until March 14th at 12:00 PM ET!
💡 To be eligible for the final leaderboard, you’ll need to share a short (~1 page) report about your method.
Submit here: polarishub.io/competitions
We’ve extended the deadline for the Antiviral Challenge until March 14th at 12:00 PM ET!
💡 To be eligible for the final leaderboard, you’ll need to share a short (~1 page) report about your method.
Submit here: polarishub.io/competitions
🚀 Leaderboard Update: Antiviral Challenge! 🚀
The latest rankings are in—check out where you stand: antiviral.polarishub.io
Missed this update? No worries, you still have time to compete! The challenge runs until March 10th at midnight.
Get started today: polarishub.io/competitions
The latest rankings are in—check out where you stand: antiviral.polarishub.io
Missed this update? No worries, you still have time to compete! The challenge runs until March 10th at midnight.
Get started today: polarishub.io/competitions
March 3, 2025 at 2:32 PM
🚀 Leaderboard Update: Antiviral Challenge! 🚀
The latest rankings are in—check out where you stand: antiviral.polarishub.io
Missed this update? No worries, you still have time to compete! The challenge runs until March 10th at midnight.
Get started today: polarishub.io/competitions
The latest rankings are in—check out where you stand: antiviral.polarishub.io
Missed this update? No worries, you still have time to compete! The challenge runs until March 10th at midnight.
Get started today: polarishub.io/competitions
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
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
February 25, 2025 at 7:39 PM
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
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
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
Learn more about what the steering committee is up to: polarishub.io/guidelines
February 20, 2025 at 6:09 PM
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
Learn more about what the steering committee is up to: polarishub.io/guidelines
⚡ 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
👀 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
February 17, 2025 at 6:40 PM
⚡ 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
👀 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
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...
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...
February 13, 2025 at 3:37 PM
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...
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...
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...
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...
February 10, 2025 at 1:43 PM
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...
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...
🚨 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
Don't miss this chance to see how you stack up against other participants! Submit your results today: polarishub.io/competitions
January 31, 2025 at 2:04 PM
🚨 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
Don't miss this chance to see how you stack up against other participants! Submit your results today: polarishub.io/competitions
Explore hundreds of ML-ready datasets and benchmarks on Polaris today!
The antiviral challenge with @asapdiscovery.bsky.social and @omsf.io is also live! If you're looking to test your skills on new, consistently generated data, now's your chance: polarishub.io/competitions
The antiviral challenge with @asapdiscovery.bsky.social and @omsf.io is also live! If you're looking to test your skills on new, consistently generated data, now's your chance: polarishub.io/competitions
January 30, 2025 at 6:10 PM
Explore hundreds of ML-ready datasets and benchmarks on Polaris today!
The antiviral challenge with @asapdiscovery.bsky.social and @omsf.io is also live! If you're looking to test your skills on new, consistently generated data, now's your chance: polarishub.io/competitions
The antiviral challenge with @asapdiscovery.bsky.social and @omsf.io is also live! If you're looking to test your skills on new, consistently generated data, now's your chance: polarishub.io/competitions
💻 ML-ready datasets — download what you need from Polaris and start training. No pre-processing and no wrangling with different file formats.
It only takes a few lines of code to download what you need from Polaris!
It only takes a few lines of code to download what you need from Polaris!
January 30, 2025 at 6:10 PM
💻 ML-ready datasets — download what you need from Polaris and start training. No pre-processing and no wrangling with different file formats.
It only takes a few lines of code to download what you need from Polaris!
It only takes a few lines of code to download what you need from Polaris!
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...
In the latest blog, we break down the key design choices that make this possible: polarishub.io/blog/reprodu...
January 30, 2025 at 6:10 PM
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...
In the latest blog, we break down the key design choices that make this possible: polarishub.io/blog/reprodu...
💡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...
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...
January 27, 2025 at 3:58 PM
💡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...
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...
But decoding molecular structures from mass spectra is incredibly challenging, even for human experts. That’s why researchers are increasingly turning to machine learning to tackle this problem.
ML aims to make structure elucidation from mass spec data faster, more accurate, and more scalable
ML aims to make structure elucidation from mass spec data faster, more accurate, and more scalable
January 24, 2025 at 6:55 PM
But decoding molecular structures from mass spectra is incredibly challenging, even for human experts. That’s why researchers are increasingly turning to machine learning to tackle this problem.
ML aims to make structure elucidation from mass spec data faster, more accurate, and more scalable
ML aims to make structure elucidation from mass spec data faster, more accurate, and more scalable
For example, Rapamycin: a potent immunosuppressant, was first discovered in soil samples from Easter Island. Mass spec was used to reveal its structure, sparking a billion-dollar drug industry.
It’s used to prevent organ transplant rejection, in cancer therapies, and has anti-aging potential.
It’s used to prevent organ transplant rejection, in cancer therapies, and has anti-aging potential.
January 24, 2025 at 6:55 PM
For example, Rapamycin: a potent immunosuppressant, was first discovered in soil samples from Easter Island. Mass spec was used to reveal its structure, sparking a billion-dollar drug industry.
It’s used to prevent organ transplant rejection, in cancer therapies, and has anti-aging potential.
It’s used to prevent organ transplant rejection, in cancer therapies, and has anti-aging potential.
Mass spec plays a key role in identifying and characterizing molecules, particularly in biological and environmental samples. This is vital for advancing biomedical and chemical sciences—especially since ~half of today’s pill-based medicines were first discovered in nature.
January 24, 2025 at 6:55 PM
Mass spec plays a key role in identifying and characterizing molecules, particularly in biological and environmental samples. This is vital for advancing biomedical and chemical sciences—especially since ~half of today’s pill-based medicines were first discovered in nature.
📣 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
Ready to put your predictions to the test?
📨 Submit your results today: polarishub.io/competitions
January 23, 2025 at 4:24 PM
📣 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
Ready to put your predictions to the test?
📨 Submit your results today: polarishub.io/competitions
The paper introduces a dataset of drug-like molecules that contains 16M+ conformations of 2M+ molecules.
They also proposed a new benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.
They also proposed a new benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.
January 16, 2025 at 4:26 PM
The paper introduces a dataset of drug-like molecules that contains 16M+ conformations of 2M+ molecules.
They also proposed a new benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.
They also proposed a new benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.
January 14, 2025 at 2:31 PM
🧩 Ligand Poses:
Predict MERS-CoV Mpro poses using knowledge from the SARS-CoV-2 Mpro crystallography data that ASAP created: github.com/asapdiscover...
Predict MERS-CoV Mpro poses using knowledge from the SARS-CoV-2 Mpro crystallography data that ASAP created: github.com/asapdiscover...
January 14, 2025 at 2:31 PM
🧩 Ligand Poses:
Predict MERS-CoV Mpro poses using knowledge from the SARS-CoV-2 Mpro crystallography data that ASAP created: github.com/asapdiscover...
Predict MERS-CoV Mpro poses using knowledge from the SARS-CoV-2 Mpro crystallography data that ASAP created: github.com/asapdiscover...