OpenFE is ready for production! chemrxiv.org/engage/chemr... In collaboration with our industry partners, we ran benchmarking simulations of our hybrid-topology RBFE protocol on a large collection of both public and private protein-ligand binding datasets. #compchem

My team has roles available for scientific developers either as Technical Lead (more senior) or as part of the development of a Side Effect Resource. baoilleach.blogspot.com/2025/12/open... #chemsky #chemjobs #bionformatics #cheminformatics #datascience #techlead

Thank you, @maom.bsky.social, for surfacing the issue and to Chief Anderson for acting so quickly. We are an inclusive community that is committed to safety practices rooted in trust rather than suspicion. These signs communicate the opposite and it’s long past time for them to go. #a2council

In 2020, I started to run every street in Ann Arbor and noticed the Neighborhood Watch signs around town. I was curious and learned that they came out of the 1994 Crime Bill effort for "community policing", and are part of a deeply racist tradition that aims to exclude people that "don't belong".

💡Just presented our new paper at the @iccv.bsky.social BioImage Computing workshop: cubic: CUDA-accelerated 3D Bioimage Computing. We introduce a simple way to add GPU acceleration to scikit-image–based bioimage processing pipelines by swapping import statements. 🧵 1/6 #iccv2025

Predicting the structural impact of human alternative splicing. #AlternativeSplicing #GenomeBiology genomebiology.biomedcentral.com/articles/10....

Evaluation of De Novo Deep Learning Models on the Protein-Sugar Interactome https://www.biorxiv.org/content/10.1101/2025.09.02.673778v1

Roche is hiring a small-molecule computer-aided drug design researcher in Basel, Switzerland. Go for it! #rdkit #compchem #chemsky www.linkedin.com/jobs/view/42...

@bmoore-beth.bsky.social We are delighted to announce that Dr. Teresa O'Meara ‪was awarded the Henry Russel award at U-M. Our highest honor for an early-mid career faculty member for her outstanding research and teaching! @teresaomeara.bsky.social ‬ @umichmicroimmuno.bsky.social

I'm so excited to share a new preprint on exploring sequence, structure, and function relationships and how we can use evolutionary information to help us design new proteins that work in the native context of a cell www.biorxiv.org/content/10.1...

BREAKING: Harvard AAUP & the nat'l AAUP have jointly filed a lawsuit & TRO to block the Trump admin from demanding that Harvard restrict speech & undermine academic freedom or else lose $8.7 billion in federal funds. This action challenges the Trump admin's misuse of funds for coercion. Stay tuned.

Hands off protest in Canton MI

For those curious about the impact of the 15% IDC rate, here's data on total NIH funding by institution: brimr.org/brimr-rankin... ... and here's a brief synopsis of hardest-hit: www.forbes.com/sites/michae...

My #Yale colleague Harlan Krumholz explains why the cuts to indirect costs are a disaster for biomedical research in the United States. Want to do something about it? I'll list those who have to hear from us below. Share, recruit friends and family to help. 1/ www.statnews.com/2025/02/08/n....

I just reached out to my senators about the NIH situation. If you need to find out how much impact NIH has in your state in terms of dollars in and their economic impact here's a link: www.unitedformedicalresearch.org/nih-in-your-...

@defendpublichealth.bsky.social, a new national coalition of more than 1500 public health experts, has led an effort to send >3500 letters to US Senators to oppose RFK Jr.’s nomination to HHS. Concerns include his unfounded beliefs about vaccines, raw milk and HIV. 1/ docs.google.com/document/d/1...

Prepping for class this spring, this playlist of videos on diffusion models for proteins are great! Series is led by @maom.bsky.social and Nick Randolph of UNC. www.youtube.com/playlist?lis...

Hey #NeurIPS2023 folks - interested in protein design / computational biology? Check out Rosetta Commons labs. We have undergrad summer internships, post-baccalaureate gap-year positions, and PhD programs and postdocs at universities around the globe. www.rosettacommons.org/about

The Rosetta Commons Molecular ML Reading Group is hosting Yeqing Lin from Mohammed AlQuraishi's lab to present Genie, a diffusion model for protein structure. GENIE:  doi.org/10.48550/arX... Join us! Wed. 12/6 at 11am EST Website and zoom link: maomlab.github.io/mol_ml_readi...

At our Rosetta Commons Molecular ML Reading group Patrick Bryant (patrickbryant1.github.io) will present Umol, a method to predict protein ligand complexes from sequence and SMILES. Umol: doi.org/10.1101/2023... Tomorrow Wed. 11/22 11am EST Website and zoom link: maomlab.github.io/mol_ml_readi...

The Rosetta Commons Molecular ML Reading group is hosting Joey Bose to present FoldFlow, a flow-matching model for protein backbone generation. Join us! When: Wed. 11/8 11am EST: zoom.us/j/9932387699... FoldFlow: arxiv.org/abs/2310.02391 Website: maomlab.github.io/mol_ml_readi...

Fred Dietrich's sac genome update is artisanal bioinformatics 😙👌 "It is the opinion of the authors that it is time to raise the bar and that published evidence that a gene is real should be necessary to keep questionable open reading frames from being relegated to dubious." doi.org/10.1101/2023...