Reposted by Henrik SengBrittany Trang @brittanytrang.com · 23/05/2025OpenAI just updated ChatGPT to be able to use RDKit, a cheminformatics Python package. OpenAI's president says this makes ChatGPT "useful for scientific work across health, biology, and chemistry," but it is hilariously still not good at chemistry (🧵) #chemsky #AI ⚗️🧪🖥️ 88026
Reposted by Henrik SengAlán Aspuru-Guzik @aspuru.bsky.social · 12/05/2025Welcoming our first group member that is not made of flesh! El Agente! An AI agent for quantum chemistry. Don’t forget to pre-register for our cloud release slated for a few months from now. See thread below. #compchem #compchemsky #chemsky #chemistry #ai #science Please re-share 1289
Reposted by Henrik SengThe Matter Lab @thematterlab.bsky.social · 12/05/2025We’re excited to welcome a new member to the Matter Lab: El AgenteQ Specialty: Quantum Chemistry Operating mode: 24/7. No coffee. No ego. Just results and electrons. Contributions: arxiv.org/abs/2505.02484 [1/6] 12013
Reposted by Henrik SengAlán Aspuru-Guzik @aspuru.bsky.social · 06/05/2025A very important from our group #compchemsky #aiforscience #quantumchemistry El Agente calculates complex quantum chemistry calculations from natural language! Please re-share with your network. @thematterlab.bsky.social @uoft.bsky.social #nvidia 03010
Reposted by Henrik SengBrendan @chemscrapes.bsky.social · 14/02/2025My daughter messaged me after her chem class the other day and asked if i could do a cartoon about Trump and Musk as isomers. Dear followers, inspired by Amelia i present to you, unconstitutional arsomers. *insert applause here* #chemsky 811331
Reposted by Henrik SengAltmetric @altmetric.com · 19/12/2024THREAD This Is The Story Of The The Pernicious Rise of AI-Generated Papers and their Online Impact An Incomplete History Told In The Voice of Documentarian Adam Curtis 1/31 30599359
Reposted by Henrik SengYoel Zimmermann @yzimmermann.bsky.social · 11/12/2024Preprint: chemrxiv.org/engage/chemr... Dataset: huggingface.co/datasets/Far... It has been fun working on this with @leif7ieben.bsky.social, @heseng.bsky.social, Philipp Pestlin, Franz Görlich!chemrxiv.orgA Chemical Language Model for Molecular Taste PredictionDetermining molecular taste remains a significant challenge in food science. Here, we present FART (Flavor Analysis and Recognition Transformer), a chemical language model capable of predicting molecu... 121
Reposted by Henrik SengLeif Sieben @leif7ieben.bsky.social · 11/12/2024@valencekjell.com this is also part of our official petition to get an honorable mention in next years class of "Digital Chemistry". --> we do anything for some traction here ... 131
Reposted by Henrik SengLeif Sieben @leif7ieben.bsky.social · 11/12/2024Ever wondered what your molecule tastes like? Try out our Flavor Analysis and Recognition Transformer: FART. A chemical language model that predicts taste from structure alone (i.e. SMILES). Try it with your favourite SMILES here, incl. interpretability: huggingface.co/spaces/FartL...huggingface.coFART - a Hugging Face Space by FartLabsDiscover amazing ML apps made by the community 2182
