New version of ChemCrow out 🔥🔥 arxiv.org/abs/2304.05376 The LLM-powered chemistry assistant got major updates 💪 What's new? Robots synthesizing stuff, human/crow collaboration, novel molecules, safety, new evaluations open source release! 🤩 See more 👇 1/8 #compchem

If you want to get much much better performance in retrosynthsis and reaction optimization then just using LLMs, and actual execution of experiments talk to us we have been building and evaluating agents in this exact space for years. @b12Labs

Such an exciting direction! Esp what's next: synth planning and mechnisms. We did just that recently cell.com/matter/fulltext/S25… and claude (Sonnet 3.7) was the first model ever achieve good scores at these tasks! We're continuing to build evals just for this at @b12Labs 🔥

In the quest toward automated synthesis, there's a massive gap between "this reaction looks good in paper" and actually running it. Turns out, someone has to select the conditions: temperature, ligands, additives... the right conditions turn an impossible reaction into real product! Today we’re announcing Palladium, our agentic solution for reaction condition and HTE plate design. Instead of starting with blind optimization, Palladium leverages precedent experiments and substrate-specific reasoning to design a strong first plate. Our beta users in academia and pharma have found conditions as high as 98%, and typically above 90% yield, on the first experiment, often with no follow-up experiments needed. This is how at b12 Labs (YC S25) we accelerate real chemistry. Read more b12-labs.com/blog/palladium-… If you’re a chemist trying to accelerate difficult reactions, we’d love to talk.

High-throughput platforms have found great application in process chemistry teams, where you need to debug reactions by exploring chemical space with a relatively standardized output to measure. But at the scale of 96-384-1536 wells at a time, even the best chemists struggle to keep all results and hypotheses in mind, and have mostly converged on factorial-based designs. Today, we are announcing Palladium, b12’s plate designer tool, which mimics the way chemists would think, hypothesize, test, analyze, and iterate on HTE conditions, and does so on scale. What I find amazing is that you can go from SMILES strings to complex hypothesis testing in just a few clicks. First results are very promising, stay tuned for experimental validation details soon.

The @b12Labs team is joining @FutureLabs_Live next week in Basel! Meet our founders @ZJoncev and @drecmb at Booth S9. At @b12Labs (YC S25) we believe the future of Synthetic Chemistry is Agentic, and we are building that future. If you're around, let's meet and discuss chemistry and AI: we'll be excited to share our latest breakthroughs in retrosynthesis, reaction optimization, and integration with robotic labs! We’d love to connect with partners and chemists who are ready to embrace the agentic future of the lab. Let’s talk about how we can optimize your reactions and automate your workflows. #FutureLabs #AgenticChemistry #AI4Science #Chemistry #Synthesis

hello world 👀 🤖⚗️

Great demos at Launch Live @ycombinator - remote control of robots, reinventing ultra sound, new transformer architectures for non-human tasks, and saving agents from dead-ends. YC events always feel like Im sent several years to the future.

You don’t like molecular dynamics? We get it. That’s why at this year’s LLM hackathon for Chemistry and Materials Science, we built not one, but ✨two✨ AI agents for molecular dynamics 👇

B-12 (YC S25) brings chemical super-intelligence into your lab, leveraging AI agents to plan and execute complex, multistep syntheses, turning months of R&D into minutes. Co-founders Andres Bran (@drecmb) and Zlatko Jončev (@ZJoncev) use Porter for production-ready infra without any DevOps overhead. Spend less time managing CI pipelines and more time innovating: porter.run/for-seed-stage-st…

Synthetic Society tests your product with AI-powered user simulations. Their agents mimic real users to catch bugs, bad UX, and edge cases. Ship faster, kill manual testing, and build with confidence. ycombinator.com/launches/O7g… Congrats on the launch, @aaronchewbani and @kavandoc!

b-12 (b12-labs.com) is building AI agents that help chemists design experiments and automatically run them on lab robots. They turn months of manual chemistry work into minutes of automated execution. Congrats on the launch @drecmb & @ZJoncev! ycombinator.com/launches/O3V…

Generate property-optimized small molecules with 𝘴𝘵𝘦𝘦𝘳𝘢𝘣𝘭𝘦 𝘢𝘯𝘥 𝘨𝘳𝘢𝘯𝘶𝘭𝘢𝘳 synthesizability control - allowing complete user-flexibility to impose various reaction constraints! Pre-print: arxiv.org/abs/2505.08774 Code: github.com/schwallergroup/sa… (1/4)

Hello from Singapore 🇸🇬! Thrilled to be at #ICLR2025 presenting our work on fragment-based drug discovery 🧩. We go beyond virtual screening with a generative, structure-aware approach. 📃 openreview.net/forum?id=bZW1… 🔗 github.com/rneeser/LatentFra… A thread 🧵👇

Thrilled to present our new work on Reinforcement Learning for 3D Crystal Diffusion Generation in #AI4Mat at #ICLR2025 ! We show that RL can optimize diffusion models for goal-directed crystal generation. Thanks to @pschwllr and @SchwallerGroup ! openreview.net/forum?id=Ovxf…