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🚀 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/🧵)
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Nicholas Runcie
197 posts
Nicholas Runcie
@NicholasRuncie
AI for Drug discovery | Oxford DPhil student @OPIGlets | Opinions my own
Tham gia Haziran 2022
262 Đang theo dõi277 Người theo dõi
Nicholas Runcie đã retweet
Assessing the Chemical Intelligence of Large Language Models #LLMs
pubs.acs.org/doi/10.1021/ac…
@NicholasRuncie @fergus_imrie @OPIGlets @UniofOxford
#JCIM Vol66 Issue1 #MachineLearning #DeepLearning
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@andrewwhite01 🙋♂️ I'm working on some stuff I think you will like.
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Who are great young investigators doing AI in chemistry and automation in chemistry? I occasionally get asked for young people in the field and all the people I know are getting old. Feel free to self-nominate
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If you’re interested in LLMs for chemistry, my ChemIQ preprint is here (accepted to JCIM): arxiv.org/abs/2505.07735
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Nicholas Runcie đã retweet
AIR Street Capital's "State of AI" 2025 Report references Nicholas Runcie, Charlotte Deane, and Fergus Imrie's work on Assessing the Chemical Intelligence of Large Language Models.
Read the whole report here: stateof.ai
And preprint here: lnkd.in/gbuNXR93
Nathan Benaich@nathanbenaich
🪩The one and only @stateofai 2025 is live! 🪩 It’s been a monumental 12 months for AI. Our 8th annual report is the most comprehensive it's ever been, covering what you *need* to know about research, industry, politics, safety and our new usage data. My highlight reel:
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I have summarized all my findings in a blog post (including some additional case studies).
📄 You can read more GPT-5 chemistry analysis here: blopig.com/blog/2025/08/g…
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If you are interested in the ChemIQ benchmark, you can read a preprint here: arxiv.org/abs/2505.07735
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Nicholas Runcie đã retweet
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)
Matt Clifford@matthewclifford
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”
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🔥 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…
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