Excited to share new validation results of our Google DeepMind Google AI AI co-scientist! Addressing the challenge of liver fibrosis, a condition affecting millions globally with few treatments options, we've been working with Dr. Gary Peltz Stanford Medicine, exploring how

One year ago today, we published the breakthrough AI model #AlphaFold 3 together with @GoogleDeepmind. AlphaFold 3 allows researchers to model the structures and interactions of all of life’s molecules with unprecedented accuracy. With the ability to model proteins, DNA, RNA, and

🚀 awesome-AI4MolConformation-MD Explore cutting-edge tools for modeling molecular conformations and dynamics using generative AI and deep learning! covering MD engines, force fields, neural potentials, and ensemble predictions. github.com/AspirinCode/aw… #MolecularDynamics #AI4MD

Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening インテグレーションと言うか全部盛り pubs.acs.org/doi/10.1021/ac…

Geometric deep learning of protein–DNA binding specificity nature.com/articles/s4159… 実装 github.com/timkartar/Deep…

Ten quick tips to perform meaningful and reproducible molecular docking calculations journals.plos.org/ploscompbiol/a… ドッキングを適切に行うための10のヒント 生体標的の理解、良いデータの選択、適切な前処理・アルゴリズム選定、手法の理解、検証と結果の共有など

Product update: PoET-2 now supports structure inputs for enhanced prediction and design via Python APIs. Check out our new inverse folding tutorial to see it in action. 🔗 docs.openprotein.ai/walkthroughs/P… Sign up for OpenProtein.AI: openprotein.ai/early-access-f…

Introducing AlphaEvolve: a Gemini-powered coding agent for algorithm discovery. It’s able to: 🔘 Design faster matrix multiplication algorithms 🔘 Find new solutions to open math problems 🔘 Make data centers, chip design and AI training more efficient across Google. 🧵

SoftAlign: End-to-end protein structures alignment doi.org/10.1101/2025.0… 実装 github.com/jtrinquier/Sof…

PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB Files onlinelibrary.wiley.com/doi/10.1002/jc… #chemoinformatics #feedly

Predicting Protein Function in the AI and Big Data Era | Biochemistry pubs.acs.org/doi/10.1021/ac…

Introducing our reimagined AI-First Colab 📓 The fully agentic experience features a Gemini 2.5 Flash-powered collaborator and enhanced key capabilities: 🔸 Effortless code transformation 🔸 Next-gen data science agent 🔸 Flexible interaction 🔸 Iterative querying 🔸 And more

HighMPNN: A Graph Neural Network Approach for Structure-Constrained Cyclic Peptide Sequence Design chemrxiv.org/engage/chemrxi…

Introducing the next generation: Claude Opus 4 and Claude Sonnet 4. Claude Opus 4 is our most powerful model yet, and the world’s best coding model. Claude Sonnet 4 is a significant upgrade from its predecessor, delivering superior coding and reasoning.

Sonnet 4 is available in Cursor! We've been very impressed by its coding ability. It is much easier to control than 3.7 and is excellent at understanding codebases. It appears to be a new state of the art.

ChatGPT now can analyze, manipulate, and visualize molecules and chemical information via the RDKit library. Useful for scientific work across health, biology, and chemistry.

RareFold 標準アミノ酸と29の非標準アミノ酸を含むタンパク質の正確な構造予測が可能とのこと RareFold: Structure prediction and design of proteins with noncanonical amino acids doi.org/10.1101/2025.0… 実装 github.com/patrickbryant1…

ChEMBLからMCP github.com/Augmented-Natu…

The ChimeraX 1.10 release candidate and daily builds can predict small complexes of proteins, nucleic acids and small molecules using Boltz on your Mac, Windows or Linux computer. rbvi.ucsf.edu/chimerax/data/…