Simon Dürr
simonduerr.eu
Simon Dürr
@simonduerr.eu
Assistant Professor UAS at HES-SO Valais-Wallis 🇨🇭 🤗 HF Fellow. Working on AI, Protein Design and Open Science. Creator of bioicons.com
Great. Would be nice to have a more direct comparison of the same pipeline on different hardware. If one has to specially optimize each model (TensorRT, BF16) its clearly an argument to stick with an x86 machine
October 16, 2025 at 7:07 AM
Cool work to design phospho-tyrosine binder by the Baker lab. They show it works but success rate is low (<0.1%) and binders are not super strong (>500nM, likely related to cost of desolvating the phosphate) .
www.biorxiv.org/content/10.1...
October 1, 2025 at 8:42 AM
We are hiring a PhD student 🎓

Work with me and Matthias Rüdt in our department on an exciting industry collaboration with Lonza combining high-throughput experiments and molecular modelling using AlphaFold and MolecularDynamics

📍 Sion, Valais, Switzerland

More info: www.jobup.ch/fr/emplois/d...
September 25, 2025 at 11:19 AM
Interesting work to design antibodies by merging AlphaFold hallucination and an antibody specific language model to design de novo CDR regions in a given antibody framework

🖥️ github.com/SantiagoMill...
🗎 www.biorxiv.org/content/10.1...
September 24, 2025 at 4:03 PM
La-Proteina from NVidia to do co-design of fully atomistic protein structures (sequence + side-chains + backbone) for up to 800 residues is now open source with permissive licensing

🖥️ github.com/NVIDIA-Digit...
🗎 arxiv.org/abs/2507.09466
September 11, 2025 at 8:23 AM
Installation and running it was a breeze 🤗 Diversity of the generated structures is quite good. Quality is a bit hit and miss. Most samples at default params have at least one or two weird C-N peptide bonds >1.6A/<1.1A and also had a few (<0.5%) samples with quite severe clashes.
February 21, 2025 at 10:55 AM
We've made available a ChimeraX extension and a Webapp to easily run predictions. AllMetal3D is now also easily installable using pip.

ChimeraX: cxtoolshed.rbvi.ucsf.edu/apps/chimera...

HuggingFace: huggingface.co/spaces/simon...

Docs for Python Package:
lcbc-epfl.github.io/allmetal3d/
February 10, 2025 at 9:35 AM
Excited to share our new AllMetal3D model building on Metal3D. AllMetal3D predicts the location, identity and geometry of the major biologically relevant metal ions doi.org/10.1101/2025...
February 10, 2025 at 9:35 AM
In the fictional universe of the BioRender lawyers they can claim they are compatible with CC BY but fact is the figures created in BioRender cannot be reused under CC BY because they say one needs a paid account which is against the CC BY terms (compare BioRender vs. @creativecommons.bsky.social).
December 22, 2024 at 4:59 PM