Infrastructure for learning and representing protein motions from structural data
Learn more at https://diffuse.science
The DiffUSE Project
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The DiffUSE Project
The DiffUSE Project wants examples where structural heterogeneity matters but cannot be encoded in PDBx/mmCIF. X-ray, cryo-EM, time-resolved, multi-map, or fragment screening data welcome. Submit yours: diffuse.science/submit/
We present sampleworks, an open, modular platform for generating and evaluating biomolecular conformational ensembles from structure predictors guided by experimental data doi.org/10.82153/jkx....
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ICYMI: The latest Tortured Proteins Department episode. @stephanieaw.bsky.social
and @fraserlab.com on: NIH strategic plan comments (due 5/26), AI lab guidelines, two new cryo-EM preprints, training scientists for what's next diffuse.science/posts/TTPD-14/
This open platform was built to allow further development of additional methods: github.com/diff-use/sampleworks Initial findings demonstrated that different structural predictors recover alternative conformations unevenly across proteins, suggesting memorization over generalization.
We share science at The DiffUSE Project in a few ways: blogs to contextualize motivation and intuition, scholarly outputs for methods, data, code, and a citable DOI. All open and shared rapidly for the best science. Our latest: doi.org/10.82153/jkx...
Want to shape the future of structural biology? We are seeking a Project Manager to help lead the DiffUSE Project, guiding ML researchers, computational scientists, national labs, and university partners. Apply: buff.ly/gZlj9AP #StructuralBiology #MachineLearning #Hiring #AcademicSky
Speakers include: @nozomi-ando.bsky.social @hkws.bsky.social, @pilarcossio.bsky.social, @cjjackson.bsky.social, @karsonchrispens.bsky.social, @alisiafadini.bsky.social, @thompson-lab.bsky.social, Joey Davis, Alex Bronstein, Rohith Krishna, Matthew McPartlon, Frederic Poitevin
