Very excited by this work! Simultaneously learn the DFT and sample the Boltzmann distribution by using two GPUs concurrently. Amazing stuff!

@majhas.bsky.social · last yr.

(1/n)🚨Train a model solving DFT for any geometry with almost no training data Introducing Self-Refining Training for Amortized DFT: a variational method that predicts ground-state solutions across geometries and generates its own training data! 📜 arxiv.org/abs/2506.01225 💻 github.com/majhas/self-...

🤯 We can now directly interact with biology via this new foundational knowledge graph. A must read 🧵

Valence Labs@valenceai.bsky.social · last yr.

1/ Introducing TxPert: a new model that predicts transcriptional responses across diverse biological contexts It’s designed to generalize across unseen single-gene perturbations, novel combinations of gene perturbations, and even new cell types 🧵 www.valencelabs.com/txpert-predi...

Everyone’s chasing AGI - but what’s the #DrugDiscovery equivalent? Meet the Virtual Cell: our bold roadmap to curing any disease by simulating the building block of human biology Check out @valenceai.bsky.social vision of curing diseases with GPU-based scientific discovery

Valence Labs@valenceai.bsky.social · last yr.

1/ At Valence Labs, @recursionpharma.bsky.social's AI research engine, we’re focused on advancing drug discovery outcomes through cutting-edge computational methods Today, we're excited to share our vision for building virtual cells, guided by the predict-explain-discover framework 🧵

Submit a 1-page abstract of your Neurips work to present it to the MoML conference on June 18th in Montreal

Valence Labs@valenceai.bsky.social · last yr.

(1/3)The poster submission deadline for MoML 2025 has been extended to May 20th, 2025. Don’t miss an opportunity to share your work at this years conference. Submit here: portal.ml4dd.com/moml-2025-po...

MoML conference is back on June 18th!

Valence Labs@valenceai.bsky.social · last yr.

(1/5) The Molecular Machine Learning Conference (MoML) is back @mila-quebec.bsky.social this June 18th. Join researchers advancing machine learning, molecular modeling, and therapeutic design. Tickets are free for students. Register Today: portal.ml4dd.com/events/molec...

We're currently looking for a PostDoc position at @umontreal.ca and @mila-quebec.bsky.social to build a multimodal bacterial representation for anti-biotic with biologists from brunlab.com using: - Phenomics - Transcriptiomics - Structural bio - Viability - ADME DM me for more info

We’re absolutely thrilled to have an exciting lineup of speakers this year covering a wide range of topics, including @pseudomanifold.topology.rocks @dom-beaini.bsky.social @mathildepapillon.bsky.social Dhananjay Bhaskar, Naoki Saito!

First place: “How Molecules Impact Cells: Unlocking Contrastive PhenoMolecular Retrieval” Predicting the effect of molecules on cells with MolPhenix Paper: www.arxiv.org/abs/2409.08302 @dom-beaini.bsky.social

Thanks to the FM4Science workshop at #Neurips for recognizing MolPhenix as best paper! We had so much fun working on this with Puria (co-first author), @karush17.bsky.social, Frederik and co-supervised by Maciej and @dom-beaini.bsky.social arxiv.org/abs/2409.08302 @valenceai.bsky.social

Definitely a career highlight to be awarded a best paper award at @neuripsconf.bsky.social FM4Science 🤩🤩 But even more exciting is that the 2nd and 3rd awards are given to colleagues Kian and Mohit, a podium sweep from @valenceai.bsky.social / @recursionpharma.bsky.social 🥇🥈🥉

Excited to be presenting MolPhenix today as an #oral presentation at the @neuripsconf.bsky.social workshop: Foundation Models for Science! 3 out the 6 oral presentations in that workshop are from @valenceai.bsky.social / @recursionpharma.bsky.social Join us in West Meeting Room 202-204 at 12pm

We're hiringggggg Interested? Come find me at @neuripsconf.bsky.social :) valencelabs.com/careers #machinelearning #AI #drugdiscovery

Valence Labs | Careers

Unleash your potential and build the future of drug discovery at Valence Labs. Explore open opportunities now.

valencelabs.com

Valence Labs@valenceai.bsky.social · 2y ago

Missed the event yesterday? Our team is still at NeurIPS today and throughout the workshops. Come talk to us and learn more about open roles. We’re hiring for both full-time and internship positions: www.valencelabs.com/careers

Special delivery from @neuripsconf.bsky.social! We just released our latest certified dataset, RxRx3-core, which includes labeled images of 735 genetic knockouts & 1,674 small-molecule perturbations. The related benchmark evaluates the zero-shot prediction of compound-gene activity. #NeurIPS 👇

Polaris@polarishub.io · 2y ago

🛡️ New certified dataset and benchmark from @recursionpharma.bsky.social! Did you know that high-dimensional data like cell images (i.e. phenomics) can help us understand the relationship between compounds and genes? 🧵 Dataset: polarishub.io/datasets/rec... Benchmark: polarishub.io/benchmarks/r...

Huge crowd at the Molphenix paper 🤩🤩 presented by @phil-fradkin.bsky.social and Puria

Recursion@recursionpharma.bsky.social · 2y ago

Follow us to our spotlight paper on MolPhenix at @neuripsconf.bsky.social - the foundation model that can predict the effect of any given molecule & concentration pair on phenotypic cell assays and cell morphology -- presented by researchers at @valenceai.bsky.social. 🧵

Great news from Recursion! Getting closer to industrialization of drug discovery

Recursion@recursionpharma.bsky.social · 2y ago

REC-617 is a testament to the potential of #AI guided precision chemistry & design to deliver new #cancer treatments. Today, we presented the latest interim data for our monotherapy Phase 1 trial for REC-617, a potential best-in-class CDK7 inhibitor, in a live Update Call. 🧵

Super excited to be flying to @neuripsconf.bsky.social to present 3 awesome papers! Including an oral presentation 📣! Check out MolGPS, MolPhenix, and ET-Flow. You can find us Wednesday and Friday at the posters, and Sunday for the oral! Thanks to an amazing team of co-authors in the thread 🧵

My students @majhas.bsky.social and @jyoonlee.bsky.social are now on bluesky! They're new in the field, but they're assuming BIG! You should follow them to not miss out on their work. Already a @neuripsconf.bsky.social paper only a few months after they started.

Yoon@jyoonlee.bsky.social · 2y ago

We’re excited to present ET-Flow at #NeurIPS 2024—an Equivariant Flow Matching model that combines simplicity, efficiency, and precision to set a new standard for 3D molecular conformer generation. 🔖Paper: arxiv.org/abs/2410.22388 🔗Github: github.com/shenoynikhil...

ET-Flow shows, once again, that equivariance is better than Transformer when physical precision matters! come see us at @neuripsconf.bsky.social !!

Yoon@jyoonlee.bsky.social · 2y ago

We’re excited to present ET-Flow at #NeurIPS 2024—an Equivariant Flow Matching model that combines simplicity, efficiency, and precision to set a new standard for 3D molecular conformer generation. 🔖Paper: arxiv.org/abs/2410.22388 🔗Github: github.com/shenoynikhil...

I'll be at #NeurIPS2024 next week presenting 4 papers all on generative models! Happy to meet old friends and new ones at all the fun events! Papers in thread 🧵

That's exactly how I feel about science. There's just too many papers on too many things and too much science going on to keep up. There's probably 100x more scientists in 2025 than there was during Einstein's time in 1925.

Chris Paxton@cpaxton.bsky.social · 2y ago

As someone who actually would love to write fiction, following writers on this site is intensely demotivating. There are just *so many* books out there, even in relatively niche genres, and it feels like no one is reading them and each one represents so much work!

Hey 👋 I'm new here and I did my best to compile some starter packs to help other new people in the same community! I probably missed some people so please help me update my lists :) 1/6 Machine learning for drug discovery go.bsky.app/2PpxWLc More in the thread! 🧵

For the structural biology enthusiasts of our followers!

Dominique Beaini@dom-beaini.bsky.social · 2y ago

2/6 AlphaFold and ML for structural bio Regrouping various people working on ML for proteins and other structural problems in biology go.bsky.app/KuXyaAM

Hey 👋 I'm new here and I did my best to compile some starter packs to help other new people in the same community! I probably missed some people so please help me update my lists :) 1/6 Machine learning for drug discovery go.bsky.app/2PpxWLc More in the thread! 🧵

I'm genuinely excited for this competition! 🤩 I'm glad that the field is moving towards being able to test our models in real-world settings, rather than optimize an obscure test set!

Polaris@polarishub.io · 2y ago

🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵 Full details: polarishub.io/competitions Blog: polarishub.io/blog/antivir...

📣 Announcing the first patient dosed in our Phase 1/2 clinical study of REC-1245 - a potential first-in-class RBM39 degrader for biomarker-enriched solid tumors and lymphoma and the first program to emerge from end-to-end use of the RecursionOS. #techbio More: ir.recursion.com/news-release...

Do you think your #AI help us solve the next pandemic? Prove it to the world by participating in the new anti-viral competition on @polarishub.io

Polaris@polarishub.io · 2y ago

🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵 Full details: polarishub.io/competitions Blog: polarishub.io/blog/antivir...

so happy to see that Action Matching finds its applications in physics, outperforming diffusion models and Flow Matching! wonderful work by Jules Berman, Tobias Blickhan, and Benjamin Peherstorfer! arxiv.org/abs/2410.12000

Reposting as my first @bsky.app post! In "Adventures of Pop - the undruggable protein", I present a visual metaphor of target-ligand interaction via Pop and his bananas. This comprehensive story is suitable for beginners, experts, and even toddlers. portal.valencelabs.com/blogs/post/a...

Adventures of Pop – the undruggable protein

This blogpost was possible thanks to the contribution of many of my colleagues and friends. If you liked it, you can follow me for similar content 🙂. Specifically, I would like to thank: Shawn ...

portal.valencelabs.com

Billions of quantum mechanics simulations made accessible with a few lines of code, check out OpenQDC

Valence Labs@valenceai.bsky.social · 2y ago

We curated 40+ quantum mechanics datasets, covering 250+ quantum methods & 1.5B geometries. All of this is easily accessible through the OpenQDC library. 🧵 Harness the power of QM data with a single line of code: www.openqdc.io Read the blog: www.valencelabs.com/blog-posts/o...