Make #medicines faster. We leverage #AI to design novel chemical #syntheses within seconds.

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We teamed up with @OpenAI to provide a first glimpse of AI-native chemistry. GPT and Maria originated, tested, and proved an improvement to Chan–Lam coupling — a key reaction in drug discovery. 10,080 reactions. 3 months. Near-autonomous discovery in the physical world.
GPT-5.4 helped drive a medicinal chemistry project from literature review to a validated experimental result. Paired with Molecule.one’s Maria AI and specialized lab, the model proposed an unexpected way to improve a widely used reaction in drug discovery.
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A new advisor! 😊KyungHyun Cho (@kchonyc) is the co-head of the Global AI Frontier Lab at NYU (with Yann LeCun @ylecun) and co-inventor of the attention mechanism. He mentored our CTO/ Co-founder, Stanislaw Jastrzębski (@kudkudakpl) during his post doc at NYU. Welcome!
Made with AI
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We are thrilled to announce a strategic, multi-year collaboration with W. R. Grace (@WRGrace), a Standard Industries company. 🧪🤖 Together, we are deploying our #AI platform, MARIA™, to transform large-scale chemical manufacturing. 🧵 [1/7]
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A single breakthrough in how a molecule is made can be worth hundreds of millions. By combining Grace's expertise in fine chemicals with our AI, we aim to help drug manufacturers bring lifesaving medicines to patients faster with new routes and local production.
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We are building the infrastructure for the future of chemistry. Read more about how we are optimizing the synthesis of peptide building blocks here: grace.com/newsroom/press-rel… #Chemistry #AI #Biotech #Manufacturing
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@MoleculeOne has won the $1M AI Challenge focused on leveraging artificial intelligence to revolutionize fine chemical manufacturing. The challenge was hosted by Standard Industries, a global industrial powerhouse with $11B in annual revenue, over 20,000 employees, and operations in 50 countries. You can check out the press release in the first comment.
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We're Hiring a Cheminformatician! 📷 Join our team and work at the intersection of chemistry and informatics! 📷 Learn more and apply: moleculeone.notion.site/Job-… #Hiring #Cheminformatics #CareerOpportunity #JoinUs
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🧪Massive milestone: >60k chemical reactions in just 14 days. Shoutout to our incredible Chemistry team led by Paulina Wach! (pictured next to the mountain of reaction plates 📷) Big step toward our mission: automating chemistry through AI.
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We are excited to announce that @MoleculeOne has secured funding from the EU for the project "Development of machine learning algorithms and an IT system based on them to suggest chemical reaction conditions for key reaction classes".
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Exciting news! Molecule.one is thrilled to announce our participation at #NeurIPS2023 in New Orleans, a premier conference for machine learning and AI. We will be presenting: Molecule-Edit Templates for Efficient and Accurate Retrosynthesis Prediction at 2 workshops
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Help us solve the unpredictability of chemistry by harnessing the power of LLMs! Molecule.one is hiring for a Machine Learning Internship. Follow the link for more details: tinyurl.com/mr2xpzn9.
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molecule.one retweeted
CAS and @MoleculeOne have established a strategic collaboration combining @MoleculeOne’s proprietary generative deep learning models and CAS' chemical content collection to develop AI-based solutions for efficient chemical synthesis planning. ow.ly/B9V250PxM53
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