Nicholas Runcie
@NicholasRuncie
AI for Drug discovery | Oxford DPhil student @OPIGlets | Opinions my own
🚀 LLMs can now do chemistry! Our new preprint shows that state-of-the-art reasoning models can now perform advanced chemical reasoning tasks, without any assistance from external tools. Here’s what o3-mini can already do👇 (1/🧵)
Really pleased to share what I have been working on for 2 months: 🇬🇧 UK SovAI are today announcing our £8m seed investment into OpenBind - A consortium that will actually make AI for drug discovery great by generating 500k experiment protein-ligand complexes!! Explainer 🧵 (1/n)
Excited to see this announcement from the Government’s SovereignAI unit: funding for the world’s largest dataset of protein interactions, led by a truly world-class group of researchers As @demishassabis says, “This is a brilliant initiative for UK science”
🔥 Blog alert🔥 ChatGPT now has access to RDKit. Key highlights: 🧪 Molecule visualisation 📈 Multi-step cheminformatics analysis 🤔 ChatGPT doesn't feel "smarter" with RDKit access, but might be more useful for chemists. Read more: blopig.com/blog/2025/06/c…
new paper from our work at Meta! **GPT-style language models memorize 3.6 bits per param** we compute capacity by measuring total bits memorized, using some theory from Shannon (1953) shockingly, the memorization-datasize curves look like this: ___________ / / (🧵)
MolSnapper: Conditioning Diffusion for Structure-Based Drug Design #DrugDesign pubs.acs.org/doi/10.1021/ac… @YaeliZiv @fergus_imrie @bmarsden19 @OPIGlets #JCIM Vol65 Issue9 #MachineLearning #DeepLearning
AI companies have explicitly ignored chemical safety in their system cards.
My colleague @irobotmckenzie spent six hours red-teaming Claude 4 Opus, and easily bypassed safeguards designed to block WMD development. Claude gave >15 pages of non-redundant instructions for sarin gas, describing all key steps in the manufacturing process.
o3 can do full cheminformatics analysis from a single prompt. This is awesome!
This is actually wild. o3 just performed a full cheminformatics analysis from a single prompt: "Choose something crazy to do with rdkit then do it."
ChatGPT now can analyze, manipulate, and visualize molecules and chemical information via the RDKit library. Useful for scientific work across health, biology, and chemistry.
I look forward to seeing what these models can now do with rdkit integration! Our work showed that o3-mini was already capable of advanced chemical reasoning without tools. An agentic model will likely be far more capable. arxiv.org/abs/2505.07735
ChatGPT now can analyze, manipulate, and visualize molecules and chemical information via the RDKit library. Useful for scientific work across health, biology, and chemistry.
Actually, it's only a novel hypothesis if the discovery comes from the hypothesé region of France. Otherwise, it's just a sparkling hypothesis .
Nice work! We were discussing this in our slack today. Matches our findings. One surprising thing for me is how much better latest Gemini is though - the may 7 one.
This work is such 🔥 @NicholasRuncie is now banned from Chat GPT Check out this thread and our preprint! arxiv.org/abs/2505.07735
🚀 LLMs can now do chemistry! Our new preprint shows that state-of-the-art reasoning models can now perform advanced chemical reasoning tasks, without any assistance from external tools. Here’s what o3-mini can already do👇 (1/🧵)