Therapeutics Data Commons @ProjectTDC
Therapeutics Data Commons: Multimodal Foundation for Therapeutic Science, developed @Harvard tdcommons.ai Harvard Joined January 2021-
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1⃣ more day⌛️ to submit your exciting research to our #NeurIPS workshop on AI Virtual Cells and Instruments! Submit an extended abstract & join our excellent lineup of presenters! 🌟 Please do not hesitate to reach out if you have any questions! ai4d3.github.io/2025/cfp.html
1⃣ more day⌛️ to submit your exciting research to our #NeurIPS workshop on AI Virtual Cells and Instruments! Submit an extended abstract & join our excellent lineup of presenters! 🌟 Please do not hesitate to reach out if you have any questions! ai4d3.github.io/2025/cfp.html
Update from CURE-Bench at @NeurIPSConf: 524 entrants and 298 submissions! Thank you to the CURE-Bench community! Working on AI for drug discovery and reasoning in medicine? Your agent belongs here New teams welcome. Tasks, rules, and leaderboard: curebench.ai…
Update from CURE-Bench at @NeurIPSConf: 524 entrants and 298 submissions! Thank you to the CURE-Bench community! Working on AI for drug discovery and reasoning in medicine? Your agent belongs here New teams welcome. Tasks, rules, and leaderboard: curebench.ai… https://t.co/SBevh0Pghf
Pitch the dataset that could spark the next AI for Science revolution 🚀 The PDB revolutionized structural biology (and even helped win a🏅Nobel Prize in 2024). We’re hunting for the next breakthrough dataset that could unlock similar leaps across science—and we want your idea!
📣 Competition launch alert! CUREBench competition at @NeurIPSConf 2025 Start here: curebench.ai Benchmarking AI for therapeutic reasoning, drug discovery, treatment planning, and therapeutic decision-making 🎯 Track 1: Develop AI models that rely on parametric…
🌍 Excited to open up our global evaluation of AI for drug decision-making and therapeutic reasoning @GaoShanghua Want to shape the future of therapeutic AI, from understanding existing medicines to developing new treatments for diseases with limited options? Start here:…
📢 AI-enabled drug discovery reaches clinical milestone rdcu.be/eugUu Few AI-designed drug candidates have gone beyond in silico benchmarks. Now, a study in @NatureMedicine @biogerontology reports a successful phase 2a trial of rentosertib, an AI-discovered drug and…
🔍 Call for Reviewers: AI4D3@NeurIPS 2025 We're seeking experts in AI & drug discovery to review submissions for our NeurIPS workshop. 🗓️ Deadline: May 30, 2025 📍 Workshop: Dec 2025, San Diego ✅ Sign up: forms.gle/o3kWHdJ6nVfXhd… #AI4D3 #NeurIPS2025 #DrugDiscovery #AI
📢 🧬 New preprint! Can we predict which cancer patients will benefit, before treatment begins? @WanXiang_Shen Immunotherapy saves lives but many patients don’t respond to treatment, and we still lack reliable tools to predict who will benefit We introduce COMPASS, foundation…
New in the Kempner's Deeper Learning blog: @AdaFang_ and @marinkazitnik introduce ATOMICA, a geometric foundation model that enables reasoning about biological systems with atom-level precision. bit.ly/KempnerATOMICA #AI #ML #MedTech
📄 Preprint: biorxiv.org/content/10.110… 🚀 Open source code, weights, and data: github.com/mims-harvard/A…
ATOMICA characterizes interesting clusters of putative bacterial zinc fingers and cytochrome proteins. We're working on getting some of these validated in the lab 🧫👩🔬. Stay tuned!
Using masked token accuracy to proxy representation quality, we see training of ATOMICA follows scaling laws where representation quality improves with increasing biomolecular data modalities 📈
ATOMICA builds multi-scale representations at the atom, block (amino acid / nucleotide / common chemical motif), and interaction complex scale. 💡 The key is capturing *interaction complexes* - to learn patterns fundamental to chemistry, such as hydrogen bonds & pi-pi stacking.
Introducing ATOMICA 💫 A model to universally represent molecular interactions (for proteins, nucleic acids, small molecules, and ions) at an all-atom scale 🧵
DBMI's @zakkohane & @marinkazitnik, plus @AdamRodmanMD & other collaborators, on how AI is transforming medicine. “Having an instant second opinion... will change, for the better, the nature of the doctor-patient relationship.” news.harvard.edu/gazette/story/…
@NVIDIAAI @GaoShanghua @HarvardDBMI @Harvardmed @KempnerInst @Harvard_data @MIT @broadinstitute @cziscience @Harvard @MIPhilanthropy 👉 Preprint: arxiv.org/abs/2503.10970 👉 TxAgent: zitniklab.hms.harvard.edu/TxAgent 👉 Open code and data: github.com/mims-harvard/T… 👉 ToolUniverse: github.com/mims-harvard/T… We are excited about the next steps as we work with clinical researchers, disease foundations, and patient-led…
TxAgent An AI Agent for Therapeutic Reasoning Across a Universe of Tools
@YepHuang @HarvardDBMI @Harvardmed @Harvard @Harvard_data @KempnerInst @broadinstitute Personalized therapy design in oncology MADRIGAL personalizes drug combination response using genomic profiles from leukemia patient samples and xenograft models Predicting drug safety and transporter interactions MADRIGAL identifies organ-specific toxicities and…
Predicting clinical outcomes of drug combinations from preclinical data is a major challenge @YepHuang We know a drug works in the lab. But will it work in patients? 🔬 ➡️ 🏥 This is key for safe and effective therapies and it's one of the hardest challenges in medicine.…
Excited to announce our graduate course AI in Medicine 2 this Spring @HarvardDBMI @harvardmed Course syllabus zitniklab.hms.harvard.edu/AIM2 The syllabus features weekly lectures, focused tutorials on cutting-edge AI topics, hands-on student research projects, and weekly quizzes…
Andrew White 🐦�... @andrewwhite01
27K Followers 2K Following Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Learning on Graphs Co... @LogConference
10K Followers 774 Following LoG is a new annual research conference that covers areas broadly related to machine learning on graphs and geometry, with a special focus on review quality.
Marinka Zitnik @marinkazitnik
8K Followers 226 Following Associate Professor at Harvard | Faculty @Harvard @KempnerInst AI | Faculty @broadinstitute @harvard_data | @ProjectTDC @AI_for_Science
Connor W. Coley @cwcoley
6K Followers 980 Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
Yuanqi Du @YuanqiD
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Anshul Kundaje (anshu... @anshulkundaje
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AI for Science @AI_for_Science
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Anne Carpenter, PhD @DrAnneCarpenter
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BindingDB @BindingDb
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Yanqiao ZHU @Zhu_Yanqiao
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pen(Taka) @iwatobipen
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Isaac Kohane @zakkohane
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Celedonio Hernández @ctcichs
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Mdluli Bonwayinkosi @orbxcode
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Xiaoguang Wang @xiaoguang_2023
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Haoxuan (Steve) Chen @haoxuan_steve_c
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Isidro Cortes-Ciriano @isidrolauscher
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Juanlu_CabanillasGar @JuanluCaba_Unex
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Guilherme Pires @colobas__
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SABEEH @MElkton54569
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Enoch Alex @alexenoch23
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Michael Ahrweiler @MAhrwie
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ShorterLab @ShorterLab
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Marinka Zitnik @marinkazitnik
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Connor W. Coley @cwcoley
6K Followers 980 Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
NeurIPS Conference @NeurIPSConf
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Jure Leskovec @jure
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Biswas Family Foundat... @BiswasFamilyFdn
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ICML Conference @icmlconf
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2K Followers 2K Following Rhodes Scholar researching AI for neuroscience at @UniofOxford, @HarvardDBMI, @WyssInstitute to advance human health. Tweets/RT = my own.
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