Could not be more thrilled to have Pat Walters (@wpwalters.bsky.social) at the scientific helm of OpenADMET!m (@openadmet.bsky.social)! 🎉
Check out this new interview with Pat in Nature Reviews Drug Discovery:
www.nature.com/articles/d41...
Check out this new interview with Pat in Nature Reviews Drug Discovery:
www.nature.com/articles/d41...
Embracing the avoid-ome
Patrick Walters, the chief scientist of OpenADMET, discusses an ambitious open-science project aimed at figuring out how to avoid pharmacokinetic and toxicity traps in small-molecule drug discovery.
www.nature.com
October 15, 2025 at 3:23 PM
Could not be more thrilled to have Pat Walters (@wpwalters.bsky.social) at the scientific helm of OpenADMET!m (@openadmet.bsky.social)! 🎉
Check out this new interview with Pat in Nature Reviews Drug Discovery:
www.nature.com/articles/d41...
Check out this new interview with Pat in Nature Reviews Drug Discovery:
www.nature.com/articles/d41...
ASAP, OpenADMET (@openadmet.bsky.social), and Polaris Hub (@polarishub.io) are hosting a virtual meeting on Wed 30 Apr to learn from top performers in our recently concluded blind modeling challenge.
To join or learn more about these efforts, check out:
www.linkedin.com/feed/update/...
To join or learn more about these efforts, check out:
www.linkedin.com/feed/update/...
ASAP:OpenADMET:Polaris Blind Challenge Participant Showcase | Hugo MacDermott-Opeskin
ASAPDiscovery, Polaris - Benchmarks for methods that matter and OpenADMET are hosting a session for some of the top performers from our recently concluded blind challenge to showcase their methods!
...
www.linkedin.com
April 27, 2025 at 5:35 PM
ASAP, OpenADMET (@openadmet.bsky.social), and Polaris Hub (@polarishub.io) are hosting a virtual meeting on Wed 30 Apr to learn from top performers in our recently concluded blind modeling challenge.
To join or learn more about these efforts, check out:
www.linkedin.com/feed/update/...
To join or learn more about these efforts, check out:
www.linkedin.com/feed/update/...
Check out this blog by our #OpenADMET tech lead, Hugo MacDermott-Opeskin.
in the most recent OMSF blog, Hugo MacDermott-Opeskin asks the important question: if we don't have nice things, where can we get them??
How Geoscience Can Help Fix Molecular Simulation’s Data Problem
Written by: Hugo MacDermott-Opeskin, PhD
Source: https://hmacdope.github.io/posts/geoscience_molecular_simulation/
We can and should do better.
TLDR: Molecular simulation can enter its big-data era ...
omsf-blog.ghost.io
April 11, 2025 at 2:48 PM
Check out this blog by our #OpenADMET tech lead, Hugo MacDermott-Opeskin.
October 5, 2025 at 7:30 PM
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
openadmet.org
November 16, 2024 at 1:42 AM
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
Excited to hear from top performers in the ASAP Discovery (@asapdiscovery.bsky.social) x OpenADMET (@openadmet.bsky.social) x PolarisHub (@polarishub.io) blind modeling challenge this Wednesday!
ASAP, OpenADMET (@openadmet.bsky.social), and Polaris Hub (@polarishub.io) are hosting a virtual meeting on Wed 30 Apr to learn from top performers in our recently concluded blind modeling challenge.
To join or learn more about these efforts, check out:
www.linkedin.com/feed/update/...
To join or learn more about these efforts, check out:
www.linkedin.com/feed/update/...
ASAP:OpenADMET:Polaris Blind Challenge Participant Showcase | Hugo MacDermott-Opeskin
ASAPDiscovery, Polaris - Benchmarks for methods that matter and OpenADMET are hosting a session for some of the top performers from our recently concluded blind challenge to showcase their methods!
...
www.linkedin.com
April 27, 2025 at 5:38 PM
Excited to hear from top performers in the ASAP Discovery (@asapdiscovery.bsky.social) x OpenADMET (@openadmet.bsky.social) x PolarisHub (@polarishub.io) blind modeling challenge this Wednesday!
(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...
Maybe you've heard - we're spinning up this killer project (OpenADMET), and we are looking to build a killer team (you??)
We'd love to see your application!
We'd love to see your application!
Careers
About OMSF
The Open Molecular Software Foundation (OMSF) is a US-based 501(c)(3) nonprofit organization focused on facilitating collaboration and software development for molecular sciences. OMSF aims...
omsf.io
November 22, 2024 at 3:46 PM
Maybe you've heard - we're spinning up this killer project (OpenADMET), and we are looking to build a killer team (you??)
We'd love to see your application!
We'd love to see your application!
Interested in building the future of open source ligand- and structure-based ML models for ADMET prediction?
The ARPA-H funded OMSF (@omsf.bsky.social) OpenADMET project is hiring multiple positions to build ML models of ADMET properties and drive informative data collection!
openadmet.org/jobs/
The ARPA-H funded OMSF (@omsf.bsky.social) OpenADMET project is hiring multiple positions to build ML models of ADMET properties and drive informative data collection!
openadmet.org/jobs/
OpenADMET Jobs
Seeking talented scientists for the OpenADMET Consortium
openadmet.org
January 8, 2025 at 3:41 PM
Interested in building the future of open source ligand- and structure-based ML models for ADMET prediction?
The ARPA-H funded OMSF (@omsf.bsky.social) OpenADMET project is hiring multiple positions to build ML models of ADMET properties and drive informative data collection!
openadmet.org/jobs/
The ARPA-H funded OMSF (@omsf.bsky.social) OpenADMET project is hiring multiple positions to build ML models of ADMET properties and drive informative data collection!
openadmet.org/jobs/
We're on YouTube! Check out this video that showcases our top performers at the OpenADMET x ASAP x PolarisHub blind challenge. You'll get to hear from team members at Shenzhen Institute of Synthetic Biology, Inductive Bio, and VISTEC.
www.youtube.com/watch?v=pJlc...
www.youtube.com/watch?v=pJlc...
OpenADMET x ASAP x PolarisHub Workshop
YouTube video by Open Admet
www.youtube.com
May 5, 2025 at 5:08 PM
We're on YouTube! Check out this video that showcases our top performers at the OpenADMET x ASAP x PolarisHub blind challenge. You'll get to hear from team members at Shenzhen Institute of Synthetic Biology, Inductive Bio, and VISTEC.
www.youtube.com/watch?v=pJlc...
www.youtube.com/watch?v=pJlc...
Matthew Thompson now presenting a live joint demo at the @omsf.io workshop showing the amazing work you can do by combining OpenFF, OpenFE, OpenADMET, and OpenFold!
May 9, 2025 at 5:25 PM
Matthew Thompson now presenting a live joint demo at the @omsf.io workshop showing the amazing work you can do by combining OpenFF, OpenFE, OpenADMET, and OpenFold!
There's untapped potential in retrospective benchmarks, but competitions remain the gold standard for unbiased model evaluation! 🥇
Excited to see initiatives such as CACHE and OpenADMET gain traction.
Excited to see initiatives such as CACHE and OpenADMET gain traction.
From ImageNet sparking breakthroughs in computer vision, to CASP advancing protein structure prediction, competitions play a key role in driving innovation in ML. 🏆
🧵 We explore the current landscape of competitions in ML for drug discovery in our latest blog: polarishub.io/blog/driving...
🧵 We explore the current landscape of competitions in ML for drug discovery in our latest blog: polarishub.io/blog/driving...
November 22, 2024 at 5:56 PM
There's untapped potential in retrospective benchmarks, but competitions remain the gold standard for unbiased model evaluation! 🥇
Excited to see initiatives such as CACHE and OpenADMET gain traction.
Excited to see initiatives such as CACHE and OpenADMET gain traction.
It would be _amazing_ if the FDA required preclinical data to be open, but also insufficient for building predictive models to aid lead optimization. We can't build useful ML models on only negative data. OpenADMET is pursuing a clever approach to generate data to produce useful models, not drugs!
January 9, 2025 at 12:14 AM
It would be _amazing_ if the FDA required preclinical data to be open, but also insufficient for building predictive models to aid lead optimization. We can't build useful ML models on only negative data. OpenADMET is pursuing a clever approach to generate data to produce useful models, not drugs!
Check out how OpenADMET is aiming to transform drug discovery! 🚀
Read more about OpenADMET initiatives in this blog post by @fraserlab.com, @jchodera.bsky.social and @srikosuri.bsky.social.
openadmet.ghost.io/what-is-open...
openadmet.ghost.io/what-is-open...
What is OpenADMET?
Small molecule therapies have always been and continue to be the dominant way we treat diseases worldwide. Small molecules have unique advantages such as cost, scalability, convenience, the ability to...
openadmet.ghost.io
August 23, 2025 at 8:01 PM
Check out how OpenADMET is aiming to transform drug discovery! 🚀
Two opportunities at OpenADMET organization (remote) #ADME #ADMET #DMPK #ML #AI #cheminformatics #DataScience #chemsky 🧪
openadmet.org/jobs/
openadmet.org/jobs/
OpenADMET Jobs
Seeking talented scientists for the OpenADMET Consortium
openadmet.org
January 14, 2025 at 10:24 AM
Two opportunities at OpenADMET organization (remote) #ADME #ADMET #DMPK #ML #AI #cheminformatics #DataScience #chemsky 🧪
openadmet.org/jobs/
openadmet.org/jobs/
Open science projects:
Project diffUSE: diffuse.science
OpenADMET: openadmet.org
@diffuseproject.bsky.social @openadmet.bsky.social @seemaychou.bsky.social @pracheeac.bsky.social @jchodera.bsky.social
Project diffUSE: diffuse.science
OpenADMET: openadmet.org
@diffuseproject.bsky.social @openadmet.bsky.social @seemaychou.bsky.social @pracheeac.bsky.social @jchodera.bsky.social
The Diffuse Project
The Diffuse Project
diffuse.science
August 31, 2025 at 3:21 PM
Open science projects:
Project diffUSE: diffuse.science
OpenADMET: openadmet.org
@diffuseproject.bsky.social @openadmet.bsky.social @seemaychou.bsky.social @pracheeac.bsky.social @jchodera.bsky.social
Project diffUSE: diffuse.science
OpenADMET: openadmet.org
@diffuseproject.bsky.social @openadmet.bsky.social @seemaychou.bsky.social @pracheeac.bsky.social @jchodera.bsky.social
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!
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!
🏁 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. 🧑💻
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. 🧑💻
January 15, 2025 at 3:44 PM
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!
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!
Baseline approaches in the @polarishub.io x ASAP discovery x OpenADMET challenge (in advance of next week's leaderboard...) molecular.beauty/blog/2025/03...
”Baseline approaches in the Polaris challenge”
Molecular property prediction has a serious bottleneck: data. Commonly used benchmark data have various problems as talked about at length elsewhere. One organization which is trying to tackle this pr...
molecular.beauty
March 15, 2025 at 9:57 PM
Baseline approaches in the @polarishub.io x ASAP discovery x OpenADMET challenge (in advance of next week's leaderboard...) molecular.beauty/blog/2025/03...
We are starting our social media presence! Follow #OpenADMET for updates on our fast growing organization. Proud to be a supported project of @omsf.io! #ADMET #OpenScience #OMSF
Maybe you've heard - we're spinning up this killer project (OpenADMET), and we are looking to build a killer team (you??)
We'd love to see your application!
We'd love to see your application!
Careers
About OMSF
The Open Molecular Software Foundation (OMSF) is a US-based 501(c)(3) nonprofit organization focused on facilitating collaboration and software development for molecular sciences. OMSF aims...
omsf.io
April 2, 2025 at 5:17 AM
We are starting our social media presence! Follow #OpenADMET for updates on our fast growing organization. Proud to be a supported project of @omsf.io! #ADMET #OpenScience #OMSF
The @asapdiscovery.bsky.social x OpenADMET (@omsf.io) blind challenge is live! 🚀
You're free to use any publicly available training data, but the challenge provides 770 ligand poses, 1031 potency datapoints and 434 ADMET datapoints as a consistently generated training set.
Come learn with us! 🏆
You're free to use any publicly available training data, but the challenge provides 770 ligand poses, 1031 potency datapoints and 434 ADMET datapoints as a consistently generated training set.
Come learn with us! 🏆
🏁 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. 🧑💻
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. 🧑💻
January 14, 2025 at 3:27 PM
The @asapdiscovery.bsky.social x OpenADMET (@omsf.io) blind challenge is live! 🚀
You're free to use any publicly available training data, but the challenge provides 770 ligand poses, 1031 potency datapoints and 434 ADMET datapoints as a consistently generated training set.
Come learn with us! 🏆
You're free to use any publicly available training data, but the challenge provides 770 ligand poses, 1031 potency datapoints and 434 ADMET datapoints as a consistently generated training set.
Come learn with us! 🏆
another open position! OpenADMET is looking for Research Software Engineers to help with some lifting. hit the jump to learn more!
omsf.io/community/jo...
omsf.io/community/jo...
Job Board
All OMSF positions are currently remote, and we generally accept applications worldwide. Some positions may be restricted to the United States. All positions require a valid work permit - OMSF has lim...
omsf.io
February 28, 2025 at 5:07 PM
another open position! OpenADMET is looking for Research Software Engineers to help with some lifting. hit the jump to learn more!
omsf.io/community/jo...
omsf.io/community/jo...
Read more about OpenADMET initiatives in this blog post by @fraserlab.com, @jchodera.bsky.social and @srikosuri.bsky.social.
openadmet.ghost.io/what-is-open...
openadmet.ghost.io/what-is-open...
What is OpenADMET?
Small molecule therapies have always been and continue to be the dominant way we treat diseases worldwide. Small molecules have unique advantages such as cost, scalability, convenience, the ability to...
openadmet.ghost.io
August 20, 2025 at 8:50 PM
Read more about OpenADMET initiatives in this blog post by @fraserlab.com, @jchodera.bsky.social and @srikosuri.bsky.social.
openadmet.ghost.io/what-is-open...
openadmet.ghost.io/what-is-open...
🧵 We highlighted some orgs that are helping advance open science through the release of new data:
- @asapdiscovery.bsky.social for antivirals
- OpenADMET consortium
- @recursionpharma.bsky.social and their [rxrx.ai](rxrx.ai) collection of phenomics datasets + the latest release - RxRx3-core
- @asapdiscovery.bsky.social for antivirals
- OpenADMET consortium
- @recursionpharma.bsky.social and their [rxrx.ai](rxrx.ai) collection of phenomics datasets + the latest release - RxRx3-core
RXRX
Datasets released from Recursion's automated cellular imaging and deep learning platform, to enable new machine learning tools and discover new biology.
rxrx.ai
November 22, 2024 at 4:33 PM
🧵 We highlighted some orgs that are helping advance open science through the release of new data:
- @asapdiscovery.bsky.social for antivirals
- OpenADMET consortium
- @recursionpharma.bsky.social and their [rxrx.ai](rxrx.ai) collection of phenomics datasets + the latest release - RxRx3-core
- @asapdiscovery.bsky.social for antivirals
- OpenADMET consortium
- @recursionpharma.bsky.social and their [rxrx.ai](rxrx.ai) collection of phenomics datasets + the latest release - RxRx3-core
Incredibly excited to see how well ADMET, affinity, and pose prediction models *actually* perform in the ASAP x OpenADMET x PolarisHub blind challenge:
polarishub.io/competitions
polarishub.io/competitions
Polaris
The benchmarking platform for drug discovery
polarishub.io
January 17, 2025 at 6:25 PM
Incredibly excited to see how well ADMET, affinity, and pose prediction models *actually* perform in the ASAP x OpenADMET x PolarisHub blind challenge:
polarishub.io/competitions
polarishub.io/competitions
We're excited to work with @omsf.io OpenADMET and @polarishub.io to bring you this blind predictive modeling community challenge!
If you're developing predictive models for drug discovery---potency or ADMET---here's your chance to test them prospectively on real discovery data from ASAP!
If you're developing predictive models for drug discovery---potency or ADMET---here's your chance to test them prospectively on real discovery data from ASAP!
🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io!
Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵
Full details: polarishub.io/competitions
Blog: polarishub.io/blog/antivir...
Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵
Full details: polarishub.io/competitions
Blog: polarishub.io/blog/antivir...
December 3, 2024 at 4:46 PM
We're excited to work with @omsf.io OpenADMET and @polarishub.io to bring you this blind predictive modeling community challenge!
If you're developing predictive models for drug discovery---potency or ADMET---here's your chance to test them prospectively on real discovery data from ASAP!
If you're developing predictive models for drug discovery---potency or ADMET---here's your chance to test them prospectively on real discovery data from ASAP!