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 ...

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...

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...

OpenFold continues to expand its collaborative network of academic and industry leaders for the advancement of open-source AI in molecular sciences.

Unbelievable. OMSF Symposium 2025 is one month away! Thanks to the incredible interest from across the community, registration for the OMSF Symposium 2025 is now closed. We’ve officially hit capacit...

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-...

Greetings! We at OMSF hope you are having a wonderful year so far. As we move into spring, we’d like to dose you with our monthly OMSF project updates.  Staff Announcements Mallory Tollefson has be...

We hope that this report inspires you to tackle proteomics in your own work and help drive advancements in this exciting field!

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...

YouTube video by Boston Protein Design and Modeling Club

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...

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...

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 ...

Harvard Medical School

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...

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...

YouTube video by Boston Protein Design and Modeling Club

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...

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...

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...

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...

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...

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...