alex math
@alexmathalex
ml meets proteins
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Biology’s lack of data is holding back its AI boom. Epoch’s latest report shows explosive growth in biological model training data size from 2017–2021 (9.7×/year), but a (2.1x/year) plateau since. AI models for biology are ready to transform science if the data can keep up.
(1/n) Sampling from the Boltzmann density better than Molecular Dynamics (MD)? It is possible with PITA 🫓 Progressive Inference Time Annealing! A spotlight @genbio_workshop of @icmlconf 2025! PITA learns from "hot," easy-to-explore molecular states 🔥 and then cleverly "cools"…
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT. ⚛️🔥🧪🧬
Researchers can analyze vast protein datasets faster with MMseqs2-GPU in the MSA-Search NIM. Unlock new possibilities for disease research and therapeutic breakthroughs. #drugdiscovery ➡️ nvda.ws/4kMUoqd
Another great example of the UK's ability to develop unique data to push forward AI for bio infrastructure Props to @Basecamp_Res for launching the world's largest biodiscovery dataset, over 10x the number of protein sequences than are currently publicly available 🧬🚀
Protein structure ≠ protein folding/dynamics The new north star: energy‑landscape learning, rather than static structure prediction Next wave: AI that learns free energy for "true" inverse folding
most underrated fundraising strategy: revenue
🧬 News alert: We’re bringing BaseData out of stealth — the world’s largest and fastest growing biodiscovery dataset, built in collaboration with scientists across 26 countries. 🔍 BaseData adds 9.8 billion newly discovered protein sequences to the known tree of life — expanding…
Exciting work by @Basecamp_Res! Great to see the emphasis on diversity and also the comparison with @tatta_bio's Open MetaGenome (OMG) dataset curated from public databases. I'm super curious - how was the team able to 10x the recovered sequence diversity in the past few months?
🧬 News alert: We’re bringing BaseData out of stealth — the world’s largest and fastest growing biodiscovery dataset, built in collaboration with scientists across 26 countries. 🔍 BaseData adds 9.8 billion newly discovered protein sequences to the known tree of life — expanding…
Some personal news: I’ve been promoted to tenured Associate Professor at the University of Toronto @UofT . When I moved here from Stanford (@Stanford) six years ago, I had no connections, no lab, just a belief that AI could change how we understand and deliver healthcare. What I…
Hot takes, pseudocode, score matching, EBMs and staircases found inside: markneumann.xyz/blog/modeling-…
If you cite Muon, I think you should definitely cite SSD (proceedings.mlr.press/v38/carlson15.…) by @CevherLIONS et al. (sorry I can't find the handle of other authors) -- which proposed spectral descent.
🚨Excited to announce that the Sovereign AI Unit is investing £8m in OpenBind: building the world's largest protein-ligand dataset. Backed by a top UK consortium, inc. Isomorphic Labs and Nobel Laureate David Baker, this will help the UK become the home for AI drug design 1/6🧵
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)
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”
🚀 Excited to release BoltzDesign1! ✨ Now with LogMD-based trajectory visualization. 🔗 Demo: rcsb.ai/ff9c2b1ee8 Feedback & collabs welcome! 🙌 🔗: GitHub: github.com/yehlincho/Bolt… 🔗: Colab: colab.research.google.com/github/yehlinc… @sokrypton @MartinPacesa
AGI timelines are very bimodal. It's either by 2030 or bust. AI progress over the last decade has been driven by scaling training compute of frontier systems (3.55x a year, 160x over 4 years). This simply cannot continue beyond this decade, whether you look at chips, power,…
There's an obvious way to fix CVD: removing plaques. There are 2-3 companies doing this. Why so few, given how pervasive CVD is? Lowering LDL is nice but removing plaques periodically seems even better.
i miss gemini-2.5-pro-exp-03-25 so bad :(
The premier conference on Machine Learning for Computational Biology is Sep 9-10 at the NY Genome Center in NYC! Submission deadline is June 1 for 2-page abstracts and 8-page papers (eligible for proceedings track). Registration is now open! (Link below) Please retweet!
We’re now programming energy landscapes, not static folds. Conformational Biasing scans every point mutant 🧬against multiple states in ⏱️<60s on a single 4090—pushing K-Ras ON, tightening Spike-ACE2, rewiring LplA🔧
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