Visiting Scholar @NYU Global AI Frontier Lab
Prev: Founding Team & Sr. Director @PrescientDesign ∙ @genentechstephenra.com BrooklynJoined November 2025
Sam Altman: It was a bad idea to scare everyone with proclamations about how disruptive our company would be, if we hadn't done that, maybe everyone wouldn't hate us
OpenAI's Head of Strategic Futures: Social Security is an accounting fraud that must be ended as soon as possible
The main thing I have to say to the young generation of Americans is that your grandparents and great-grandparents committed a kind of accounting fraud when they ran our country a century ago with social security, and at the time it was a reasonable affordance to grant our
Foundation models are moving from predicting molecular properties to representing the quantum wavefunction itself
Adam Foster and coauthors introduce Orbformer, a transferable neural quantum Monte Carlo model designed to tackle one of the hardest problems in electronic-structure theory: chemical bond breaking.
The difficulty is fundamental. As a bond dissociates, the electronic wavefunction often becomes strongly multireference, precisely where standard single-reference methods struggle and accurate multireference calculations become extremely expensive.
Orbformer changes the computational paradigm. Instead of solving each new molecule essentially from scratch, the model is pretrained on 22,000 equilibrium and dissociating molecular structures, learning reusable structure across electronic wavefunctions. It can then be fine-tuned on unseen molecules.
That means part of the cost of solving the Schrödinger equation is effectively amortized across chemical systems.
The scientific result is striking: across established benchmarks, difficult bond dissociations and Diels–Alder reactions, Orbformer consistently reaches chemical accuracy of about 1 kcal/mol, with an accuracy–cost trade-off competitive with classical multireference approaches.
The important AI-for-Science idea goes beyond quantum chemistry. Foundation models become particularly powerful when expensive scientific computation contains reusable structure across related problems. Instead of learning only an observable, we can potentially learn transferable representations of the underlying physical object itself.
Paper: Foster et al., Nature Communications (2026), CC BY 4.0 | nature.com/articles/s4146…
Part of it is that our oligarch class has aggressively insisted to the public that they are not a part of the public, want no part of it, would prefer to live on libertarian sovereign islands run by corporate kings, and see their mission as eliminating the problem of labor.
If we actually implemented a wealth tax that the public saw as benefiting everyone, there might be more willingness on the part of the public to hear out ideas from the oligarchs.
But the 0.1% see a wealth tax as the epitome of all evil. So it’s war. They have the money, but they’re still up against people, to borrow a phrase, and the data center fight shows that people can still at least fight money to a standstill.
We just released the first model of a new series, OpenBind, based on OpenFold3 but preferentially trained for small molecules. OB models will regularly absorb structures from OpenBind consortium + PDB to provide a continually updated system with latest OpenFold features. More👇
OpenBind intends to collect 10,000s of protein-ligand structures & affinities. To prioritize what we collect next, we need cofolding models trained on the latest data. Today we're releasing OpenBind-0 and 717 new ligand-bound structures.
The second in a great series from @owl_posting. In-vitro human-derived systems like organoids and MPS have FDA tailwinds with the Modernization Act (3.0 having just passed a month ago) & are promising, but still have non-trivial, extant challenges. Anyone interested should read.
Where have organoids actually been useful?
6k words, 27 minutes reading time
owlposting.com/p/where-have-o…
part two of the organoid series. what all are our three-dimensional friends capable of? what gifts do they have to offer? all this, and more, in the essay
Today, we are incredibly excited to present LiteMol-1, our very first foundation model from LiteFold.
Structure-based models like BoltzGen, O-Design, and RFdiffusion have become the de facto standard for designing biomolecules. However, they are expensive to run at scale. In many campaigns, we have to generate tens of thousands of designs and rigorously filter them down to a handful of top candidates.
More importantly, most molecule design systems are primarily optimized around binding. But what about everything else that makes a molecule a useful therapeutic: ADME, toxicity, drug-likeness, membrane permeability, synthesizability, selectivity, and more?
That’s where we introduce LiteMol-1, our first Multi-Molecule Foundation Diffusion Language Model, pre-trained from scratch. With a single set of weights, LiteMol-1 can conditionally generate small molecules, peptides, cyclic peptides, depsipeptides, peptides with ncAAs, macrocycles, and PROTACs.
You can generate molecules unconditionally or condition generation on a protein target sequence. You can in-paint molecules, preserve parts of an existing scaffold, generate non-canonical peptides, cyclize designs, and continuously edit and regenerate them.
We also introduce a Monte Carlo Tree Search framework for multi-objective molecular design. Instead of trying to make one molecule perfect at everything, the search keeps a set of promising molecules, each with different trade-offs across properties. This matters because molecular design is fundamentally not a single-objective optimization problem.
Finally, and probably the part we are most excited about: this is a model for Agents. LLMs are not particularly efficient interfaces for repeatedly reasoning over thousands of large PDB/CIF files inside an AutoResearch loop. Sequence space is different. SMILES and molecular sequences are compact, editable, and much easier for an agent to inspect, compare, modify, and reason over.
So we treat LiteMol-1 as an infinite molecular canvas.
The model generates possibilities. The agent takes inspiration from them, evaluates them, edits them, optimizes them, and generates again. The AutoResearch loop continues until it finds candidates that satisfy the given design objectives; while bringing in expensive structure prediction, docking, or simulation only when they are actually needed.
Our evaluations across peptide and small-molecule generation show that LiteMol-1 is competitive with, and in several settings on-par with or better than, frontier structure-based and sequence-based models, while operating at a fraction of the generation cost and time.
And this is only the first step. Check out our technical research blog post in the comments to learn more about LiteMol-1.
Breakthroughs in AI for biology are largely catalyzed by the diverse datasets deposited by scientists.
To make experimental data on biomolecular dynamics from NMR as easily accessible as the PDB, @HWaymentSteele and I are releasing makeshift, installable via PyPi
Preprint: biorxiv.org/content/10.648…
Docs: makeshift-docs.readthedocs.io
To what degree would people say that so-called “reward hacking” by AI models is a conceptual descendant of what would have been called “overfitting” in the ML era?
Researchers at #FlatironCCM helped build a key piece of hyper-efficient AI training tool Muon — a component called Polar Express that optimized Muon’s core operation: bit.ly/4xNs4dg#math#science
When training protein language models, people usually discard metagenomic proteins that don't cluster with at least 1 other protein (singletons).
With @riavinod_@Samir_char@avapamini@lorin_crawford , we show that this is probably not the right strategy.
Luigi Mangione has admitted to shooting UnitedHealthcare CEO Brian Thompson:
“After years of enduring severe pain from a broken back... I learned UnitedHealth would be holding an investor conference in New York City. I then researched the event online. I observed the annual
GEM @gembioworkshop is back for NeurIPS! 💻 🧪 Let's talk about lab-in-the-loop, high throughput experiments, the biological systems AI is just beginning to reach, and more. We welcome paper submissions from both dry and wet labs. Paper deadline is August 29th AOE, don't miss it!
Predicting the answer to interventional "what if?" questions — the outcome of an action you never took — need a *mechanistic* model, not a curve fit. And you can only learn one by *experimenting*. Experiments are costly, so the real game is **data efficiency**.
Meet the Model Discovery Agent (MDA). 🧵
A label-free, non-invasive approach to imaging neural organoids in 3D using Raman microscopy and an unsupervised autoencoder that maps lipids, proteins, and nucleic acids at subcellular resolution.
@dimgeorgievv@xierx1@alvaroFerGal & Stevens Group
science.org/doi/epdf/10.11…
32K Followers 3K FollowingFederally funded academic research is the innovation engine of the US economy. Reform is welcome. Destruction will have long term consequences.
5K Followers 3K FollowingMaking the world a little better with software, materials, and community. Group Leader - AI & data infrastructure at @uchicago/@argonne. Opinions are mine.
96 Followers 574 FollowingPostdoctoral Research Scientist @UniOfOxford. PhD in AI & ML from @imperialcollege. ML for tissue analysis, analytical chemistry and molecules. 👨💻🧫💊
219 Followers 478 FollowingPostdoc at the MPI-SP in Germany. Previously @kaistpr and @ibs_dscig. Interested in RL, Generative AI, Proteins+AI, and Applied Deep Learning.
2K Followers 883 FollowingCTO at @Kimia_Tx. Fmr SVP AI @RecursionPharma; ex-Stanford(PhD), forever Cal 🐻.
Find me at https://t.co/LPj0As74Em if the alternative handles get banned.
601K Followers 57K FollowingSan Francisco/Silicon Valley AI | Robots, holodecks, BCIs, analysis of new things | Ex-Microsoft, Rackspace, Fast Company | Wrote eight books about the future.
5K Followers 2K Followingco-founder https://t.co/TIpJn8YQlg building microscopic world models for atomistic simulation | prev Head of AI @cziscience | probabilistic and deep ML
4K Followers 2K FollowingPartner + Head of Research @_DimensionCap | Focused on the Intersection of Compute + Bio | Prev: Public Biotech Investor | Chemical Engineering @JohnsHopkins
13K Followers 349 FollowingMLing biomolecules en route to structural systems biology. Asst Prof of Systems Biology and CS @Columbia. Prev. @Harvard SysBio; @Stanford Genetics, Stats.
325K Followers 3K FollowingPublishing the best of biotech science and business. Find us on Bluesky, Facebook & Instagram. Part of @SpringerNature and @NaturePortfolio.
32K Followers 3K FollowingFederally funded academic research is the innovation engine of the US economy. Reform is welcome. Destruction will have long term consequences.
5K Followers 3K FollowingMaking the world a little better with software, materials, and community. Group Leader - AI & data infrastructure at @uchicago/@argonne. Opinions are mine.
96 Followers 574 FollowingPostdoctoral Research Scientist @UniOfOxford. PhD in AI & ML from @imperialcollege. ML for tissue analysis, analytical chemistry and molecules. 👨💻🧫💊
219 Followers 478 FollowingPostdoc at the MPI-SP in Germany. Previously @kaistpr and @ibs_dscig. Interested in RL, Generative AI, Proteins+AI, and Applied Deep Learning.
2K Followers 883 FollowingCTO at @Kimia_Tx. Fmr SVP AI @RecursionPharma; ex-Stanford(PhD), forever Cal 🐻.
Find me at https://t.co/LPj0As74Em if the alternative handles get banned.
5K Followers 2K Followingco-founder https://t.co/TIpJn8YQlg building microscopic world models for atomistic simulation | prev Head of AI @cziscience | probabilistic and deep ML
7K Followers 7K FollowingAlchemist-in-training. 🧙♂️
Human & planetary health @thisishcvc 🛠️
Past: AI for Science @Stanford ⚡️🧪
CEO @Plume_Labs (acq. by @AccuWeather) 🌦️
4K Followers 2K FollowingPartner + Head of Research @_DimensionCap | Focused on the Intersection of Compute + Bio | Prev: Public Biotech Investor | Chemical Engineering @JohnsHopkins
531K Followers 12K FollowingReporter at @DropSiteNews - Author of "We've Got People,” “The Squad,” and “This Is Your Country On Drugs.” Co-host of Breaking Points. Signal: cherrygarcia.01
19K Followers 9K FollowingI push the AI frontier by building tough benchmarks with amazing people. SWE-bench, SWE-agent, SciCode, AlgoTune. Postdoc @Princeton. PhD @nlpnoah @UW.
6K Followers 964 FollowingAssistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
2K Followers 2K Followingabsolutely discontinuous with respect to Lebesgue measure. research fellow in ai for science ⚛️ @FlatironInst + ai safety fellow @AnthropicAI
214 Followers 474 FollowingPosting LLM + clinical research | LLMs & Digital Twins for Cancer | PhD student at Roche pRED & Helmholtz Munich | Opinions are my own