
Simon Duerr
@simonduerr
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Assistant Professor UAS at HES-SO Valais-Wallis 🇨🇠🤗 HF Fellow. Working on AI, Protein Design and Open Science. Creator of https://t.co/Y9GsDuZ0L1
Lausanne
Joined July 2012
RT @adaptyvbio: Chai Discovery just released their new model Chai-2, validated on Adaptyv! . Chai-2 enables generation of de novo proteins….
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In earlier work, we already analyzed how AllMetal3D given a structural input and no information about metal stoichiometry fares against co-folding methods given metal stoichiometry but no structure:
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We compared to a few other tools that perform either metal identity prediction or location prediction and found that is very important to include negative classes during training and also cluster metal ions by biological similarity.
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We've made available a ChimeraX extension and a Webapp to easily run predictions. AllMetal3D is now also easily installable using pip. ChimeraX: HuggingFace: Docs for Python Package:
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Excited to share our new AllMetal3D model building on Metal3D. AllMetal3D predicts the location, identity and geometry of the major biologically relevant metal ions
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RT @workshopmlsb: Thank you to everyone who came to MLSB this year!! . We are collecting feedback in a short 2 minute survey (and more da….
docs.google.com
Thank you for taking a few minutes to complete this survey about your experience at MLSB 2024 @ NeurIPS! Your feedback is valuable and ensures that we run a smooth workshop each year.
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Anyone working at MPG willing to share the license conditions ? I'd be curious if they have special terms. For the last contract they didn't. The info should be on this page:
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Unbelievable how expensive BioRender is. @MPDL is paying 673 413 USD for a two year license for a software that isn't even compatible with open access publishing (even if BioRender claims otherwise).
ted.europa.eu
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Note that this is an Alpha release. It will soon be also possible to define modified residues, covalent modifications and view confidence. Ping me if you encounter problems.
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Both the input component and the molecule output component are individually reusable. Simply pip install gradio_cofoldinginput or gradio_molecule3d.
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This is a portable interface. You can easily run in on your local infrastructure using Docker. There is also a REST API interface.
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Now available: open source UI with @Gradio for Boltz-1 by @GabriCorso @jeremyWohlwend .Check it out on HuggingFace spaces. h/t @huggingface for community L4 GPU:
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with @jeremyWohlwend, @pas_saro and an amazing team at MIT and Genesis Therapeutics. A thread!
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All platforms that forbid commercial use like BioRender or BioGDP are simply incompatible with Open Access publishing under CC BY even if they claim otherwise. Your CC BY published paper will likely need a correction in the future to fix the copyright if you use e.g BioRender.
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This is a great effort by NIH. All illustrations financed by public money should similarly be available for others to reuse in the correct format (vector). The key is that NIH BioArt is not only free but also comes with a permissive license! #OpenScience.
📢NIH BioArt Source, a free new science and biomedical art resource library, offers a diverse array of high-quality illustrations, vectors, & brushes, free to use & download. See the full catalog of free science and #biomedical illustrations: #FreeResource
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You can play with the demos directly in the slides thanks to @Slidevjs 😎.
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Gave an intro to Docker + @huggingface Spaces + @Gradio at European Rosettacon 2024 for protein people. Maybe my slides are also interesting to the wider community:
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And if you want to support BioIcons in funding applications and make your voice heard it is still appreciated if you fill the user survey and tell us what you need from open scientific icons:
docs.google.com
BioIcons is looking for funding to increase the size of its illustration catalog and provide new features on the website. Since this is platform for scientists from scientists, we need your opinion...
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Glad to share the first results from the ongoing user survey on BioIcons. Really appreciate that it's used around the globe! You can read more about the results here:
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RT @ChemistryWorld: Open-access journals publish content under the CC-BY copyright licence, which means that anyone can copy, distribute or….
chemistryworld.com
Questions raised over copyright licence that covers images created using scientific illustration service Biorender
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Typed up my thoughts on the BioGDP license here:
blog.bioicons.com
BioGDP is a free platform for creating images but its license prohibits using it in academic publications.
Eventful week for visual science communication. just got published in NAR. The platform features a web editor and database with many icons (all free). Unfortunately, looking at their ToS I cannot recommend to use it.
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