OMSF
@omsf.io
the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
we have a blog - and there's some great stuff on it! check out this post by David Mobley. who knows, maybe we can say bye to aromaticity in our force fields? blog.omsf.io/why-we-shoul...
Why We Should Drop (Graph-based) Bond Order and No Longer Use Aromaticity
Written by: David Mobley, PhD OpenFF force fields assign parameters based on queries operating on the chemical graph for molecules, via the SMARTS language. This language is rather flexible, leaving ...
blog.omsf.io
we are having a blast! keynotes from @openfree.energy , @openfold.io , and @openadmet.bsky.social, and Open Force Field have been stellar. @lilyminium.bsky.social and @ialibay.bsky.social - we are so proud!
hey all - we gather in Boston in ONE.WEEK. all the people we only see in screens, in one room, in person for a day of science and community. find all the relevant information here! omsf.notion.site/OMSF-Symposi...
OMSF Symposium 2025 | Notion
May 9th, 2025 - OMSF is back for our third annual symposium! We are excited to share an incredible day with you. We begin our day on the front lines of open molecular modeling, with words from our sof...
omsf.notion.site
in his blog, our very own Mike Henry demonstrates a powerful, useful skill - CONTAINERIZING. if you are looking for a good how-to on packaging tools, look no further.
Dockerize a Tool
Written by: Mike Henry, PhD Source: https://www.henrymike.com/dockerize-a-tool.html Curious about how to containerize your scientific tools for smoother collaboration and deployment? In this post, Mi...
blog.omsf.io
Our new member press release is out! We’re thrilled to welcome 8 new partners to the OpenFold Consortium. Full announcement here: www.businesswire.com/news/home/20... Please share & help us welcome the newest members of our community! 🤝 #OpenFold #AI #OpenScience
OpenFold AI Research Consortium Welcomes New Members Including Bristol Myers Squibb, COGNANO, Lambda, Novo Nordisk, Structure Therapeutics, Tamarind, Unnatural Products, and Visterra
OpenFold continues to expand its collaborative network of academic and industry leaders for the advancement of open-source AI in molecular sciences.
businesswire.com
the longest journey begins with a single step. luckily for us, @arianaclerkin.bsky.social is writing hers down! read the first PLUMB blab of many below, and follow along as Ariana builds an open comp.chem project from the ground up.
PLUMB blab #1: We need better benchmarks for computer-aided drug design
Written by: Ariana Brenner Clerkin, PhD Welcome to a new series on the OMSF blog: PLUMB blab! This series will take you behind the scenes of PLUMB (Protein-Ligand Unified Metrics Benchmark), an open-...
omsf-blog.ghost.io
#OpenFold was highlighted in the #ProteomicsPlaybook from Front Line Genomics. You can hear from our co-founder, @lucasnivon.bsky.social, and our business manager, Mallory Tollefson, to learn about why our consortium began and where we are going. frontlinegenomics.com/proteomics-p...
Proteomics Playbook 2025 - Front Line Genomics
We hope that this report inspires you to tackle proteomics in your own work and help drive advancements in this exciting field!
frontlinegenomics.com
our next blog comes from James Eastwood, PM over at Open Force Field. he'll sum up the last 6 months of the project - get your history here!
What's up with OpenFF?
Written by: James Eastwood, PhD The past few months have been somehow both busy and quiet for the staff of OpenFF. We’ve said goodbye to some old colleagues and hello to new. We’ve been improving ou...
omsf-blog.ghost.io
@bpdmc.bsky.social hosts those on the bleeding edge of molecular modeling. if you want to know what's what, check out their YouTube page. here's the latest presentation:
Boltz-1 and the Future of Biomolecular Foundation Models
YouTube video by Boston Protein Design and Modeling Club
youtube.com
if you are new to OMSF, we have a monthly newsletter to get you up to speed. check it out here:
OMSF Project News - February 2025
Hello! As we move closer into the thick of 2025, we’re excited to share updates on our growing projects, new hires, and ongoing research milestones. Let’s take a moment to highlight the latest advance...
news.omsf.io
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...
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
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
in just 2 short days, Winter RosettaCon kicks off. are you going??
Winter RosettaCon
Harvard Medical School
winterrosettacon.org
how'd you do?
Polaris@polarishub.io · last yr.⚡ 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
one of our projects - Open Force Field - is looking for feedback on their Interchange software. this is your chance to influence the development of this killer product. let them know!
Interchange Stakeholder Survey
The OpenFF Infrastructure team is preparing to make a 1.0 release of Interchange and a roadmap that describes major project objectives leading up to and following the milestone. We want to hear from u...
docs.google.com
Our team is having fun trying out the binding pose challenge! Check it out below, the organisers have done a great job making the data easy to access and understand!
The ASAP Discovery Consortium@asapdiscovery.bsky.social · 2y agoWorking 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!
have you heard of @bpdmc.bsky.social ? these guys get together every month for pizza and protein modeling...our kind of group! check out the presentation Markus Buehler gave last year. he explores how physics-aware AI is revolutionizing protein modeling. and if you find Markus here, tag him below!
Physics-aware agentic artificial intelligence to model, design and discover proteins
YouTube video by Boston Protein Design and Modeling Club
youtube.com
We're changing the field of #compchem by creating free and open-source software for performing alchemical free energy calculations. Our flagship protocol calculates relative binding free energies of protein-ligand systems. Try it out in your browser: colab.research.google.com/github/OpenF...
quick throwback to 2023: we were so delighted to get our first NSF grant. it's made a huge impact on our ecosystem - addressing project needs and solving them with high-quality software. just a small taste of the power of funding open science!
NSF POSE: Phase II: Building open source ecosystems in molecular sciences through collaboration and technology
A redacted version of the full project description of the grant proposal submitted in Oct 2022 in response to NSF POSE solicitation. Results from prior NSF support section have been excluded from this...
zenodo.org
if you didn't see it before, you're seeing it now - we are back for OMSF 2025! and this year, we're in Boston. you can register now!
Announcing OMSF Symposium 2025
It's time to mark your calendars! The Open Molecular Software Foundation is headed to Boston, MA on Friday, May 9th, 2025 for our third symposium! We will be hearing from all of our team and projects...
news.omsf.io
check out this write up from our very own @mattwthompson.bsky.social - some great advice from an expert
Six steps to success when reporting open-source computational chemistry issues
I’ve been working with open-source computational chemistry tools for about a decade, half of which has been in a professional capacity. I’ve worn about every hat - developer, maintainer, confused user...
mattthompson.dev
Looking for something to do this weekend? Why not apply to be our next Data Curation expert?
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
If you woke up today and thought, "hm, I'd really like to compete against the best and brightest in a robust, friendly drug discovery challenge that pushes the envelope of what open science is capable of," then we have great news for you!
Challenge: Revolutionizing Small Molecule Drug Discovery
The Open Molecular Software Foundation (OMSF) OpenADMET project is proud to collaborate with the ASAP Discovery Consortium to launch an exciting computational blind challenge in small molecule drug di...
news.omsf.io
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!
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
WOAH! We just had 200+ people follow us over the weekend - so good to see all of you here!
We are now on Bluesky! OMSF supports the ever-growing ecosystem of open source molecular software. We love all things #opensource, #science, and #software - if you do too, follow us!
