O víkendu jsem si chtěl vyzkoušet napsat aplikaci na trošku jiný typ výzkumu, než je u chemika obvyklé, a tak jsem přichystal Trestní dilemata. Princip je jednoduchý - dostanete na výběr mezi dvěma delikty a musíte si vybrat, který je podle Vás závažnější. media.giphy.com/media/v1.Y2l...
Karel "CaCO3" Berka
Karel "CaCO3" Berka
@krapnik.bsky.social
theoretical physical chemist, molecular modeller and chem- and bioinformatician - #AlphaFoldology enthusiast Palacky University Olomouc, ORCID:0000-0001-9472-2589 #boardgamegeek (tweets my own) #ELIXIRCZ
2K followers4.7K following659 posts
A aplikace karelberka.github.io/trestni-dile... pak na pozadí tyto hlasy sesbírá... (k ovládání stačí šipky a mezerník)
O víkendu jsem si chtěl vyzkoušet napsat aplikaci na trošku jiný typ výzkumu, než je u chemika obvyklé, a tak jsem přichystal Trestní dilemata. Princip je jednoduchý - dostanete na výběr mezi dvěma delikty a musíte si vybrat, který je podle Vás závažnější. media.giphy.com/media/v1.Y2l...
Vaši volbu pak můžete srovnat s trestním zákoníkem a s webem jaktrestame.cz od Jakuba Drápala, Kláry Svitakové, Michala Šoltése a Jana Cibulky. A pak si můžete vybrat další náhodnou dvojici a další…
Sad news to #CompChem Pavel Jungwirth passed away… www.uochb.cz/en/news/811/...
Antigravity (or other agentic AI who wrote code) is cool tool for making science edu apps for computational chemistry. For instance, I vibecoded this interactive atomic orbital simulator this afternoon based on discussion with student… karelberka.github.io/orbital-simu... (it is in Czech now)
If you want to play some biochemical boardgame on summer holidays - you can try my AA-Dobble - karelberka.github.io/amino-acid-d... #proteins #chemsky
Karel "CaCO3" Berka reposted
Replying to @rolanddunbrack.bsky.social
Part 2 may be of most use to experienced users of AlphaFold and related programs. It covers the origin of the AF scores in benchmarking protein structure prediction (GDT-TS, LDDT, TM score) and the AF versions of these scores (pLDDT, PAE, ipTM, ipSAE, LIS). www.youtube.com/watch?v=WW_X...
Karel "CaCO3" Berka reposted
I gave a workshop on AlphaFold & related programs @ the University of Utah. Part 1 covers protein structure prediction before/after AlphaFold & deep learning neural networks. Part 2 covers the math behind the scores. Part 3 covers PyMOL & the webservers. youtube.com/@rolanddunbr...
Antigravity (or other agentic AI who wrote code) is cool tool for making science edu apps for computational chemistry. For instance, I vibecoded this interactive atomic orbital simulator this afternoon based on discussion with student… karelberka.github.io/orbital-simu... (it is in Czech now)
Karel "CaCO3" Berka reposted
Replying to @stephanieaw.bsky.social
sampleworks allows you to hold the experimental loss fixed and benchmark structure predictors head-to-head, or freeze the model and sweep guidance methods + hyperparameters. github.com/diff-use/sam...
Karel "CaCO3" Berka reposted
Did you ever see the "Not The Nine O'Clock News" sketch? m.youtube.com/watch?v=asUy...
another #alphafoldology tool - DeltaDiff - for prediction of mutant protein structures.
Yajie Cai, Yanbin Wang, Ming Chen: DeltaDiff: Training-Free, Physics-Guided Machine Learning for Predicting Mutant Protein Structures https://arxiv.org/abs/2606.04452 https://arxiv.org/pdf/2606.04452 https://arxiv.org/html/2606.04452
pipeline for #alphafoldology pipeline for identification of PPIs
Sarah Narrowe, Arne Elofsson Claudio Mirabello: AF_Cache: Efficient Pipeline for Running AlphaFold for High-Throughput Protein-Protein Interaction Prediction https://arxiv.org/abs/2606.04566 https://arxiv.org/pdf/2606.04566 https://arxiv.org/html/2606.04566
Karel "CaCO3" Berka reposted
🧬 Claude isn't the only AI that can query PDBe. PDBe MCP Servers work with other AI clients too, such as Google Antigravity. You only need one protocol for any MCP-compatible AI. 🎥 Watch the install walkthrough 👇 📦 github.com/PDBeurope/PDBe-MCP-Servers #PDBe #MCP #GoogleAntigravity #AI
Power of Boron lecture by Michael Londesborough from IIC AV CR at @fchupol.bsky.social www.youtube.com/live/j3PvXHe... #chemsky
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
And great opening of Prague Protein Spring by David Baker @nd-bakerlab.bsky.social #pps2026
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Alena Khmelinskaia @akhmelinlab.bsky.social promoting @rosettacommons.bsky.social -Con after her amazing talk on design of protein nanostructures #pps2026
Karel "CaCO3" Berka reposted
Sameer Velankar @pdbeurope.bsky.social @ebi.embl.org ready to his talk on AI in biology #pps2026
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
Tomas Pluskal @pluskal-lab.org on plants, their products and AI #pps2026
Karel "CaCO3" Berka reposted
Karel "CaCO3" Berka reposted
New Syntax for PDB DOIs for Entries Released After July 21, 2027 PDB entries deposited after July 20, 2027 will only be assigned extended PDB IDs and will follow a new DOI syntax.
Karel "CaCO3" Berka reposted
Babička je do neděle v aukci. Držte palce, nebo si ji radši vydražte ;) www.obrazyvaukci.cz/polozka/maco...
Karel "CaCO3" Berka reposted
Originální řešení pro velkoobjemový #3Dtisk vzniká i v Česku. Byl jsem se podívat za Jiřím Samkem v Hradci Králové na velkého robota, který umí připravovat obrovské výtisky z termoplastů. A tím „obrovské“ myslím v řádu mnoha metrů a mnoha tun. Mikroreportáž: www.linkedin.com/posts/tomvit...
Karel "CaCO3" Berka reposted
na AFO jsem si zaridil Marsovsky rover, hec @chmee2.bsky.social
Artistic beauty of protein structures by @irinabezsonova.bsky.social
Excited to share that my 2025 collection of science-inspired drawings is now live on the Protein Data Bank (PDB) website. Thank you @rcsbpdb.bsky.social! It is free to explore and download. I’d love to hear what you think! pdb101.rcsb.org/sci-art/bezs...