Josh Rackers

Publishing and communicating research in AI/ML is fundamentally broken Why researchers should care, and four proposals for how to fix it

Love this new blog post from @ncfrey.bsky.social

ncfrey.substack.com/p/publishing...

The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models Machine learning (ML) models hold the promise of transforming atomic simulations by delivering quantum chemical accuracy at a fraction of the computational cost. Realization of this potential would en...

A new flagship quantum chemistry dataset is out! Omol25 contains more than 100 million DFT calculations across a wide swatch of chemical space, including biomolecules, metal complexes and electrolytes.

Collaborating with the FAIR team on this has been super fun!

arxiv.org/abs/2505.08762

The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models Machine learning (ML) models hold the promise of transforming atomic simulations by delivering quantum chemical accuracy at a fraction of the computational cost. Realization of this potential would en...

It's finally done (enough for a preprint)! Today, in collaboration with so many folks at Meta (shout-out Daniel Levine and Muhammed Shuaibi, who put in superhuman levels of work), Berkeley, Stanford, NYU, and more, I'm proud to announce the Open Molecules 2025 (OMol25) dataset!
#CompChem #ML 🧪 ⚗️

It's true- @achira-ai.bsky.social is just an excuse to slap this on all the merch

Excited to share what I’ve been working on with @tkaraletsos.bsky.social to transform the field of drug discovery with atomistic foundation simulation models!

I could not be more thrilled to be working with this dream team.

achira.ai

Achira is building atomistic foundation simulation models to power the future of drug discovery.

We are a team of machine learners, quantum chemists, engineers, and CADD practitioners united by the ambition to create a fundamentally new way of discovering therapeutic compounds.

achira.ai

NEW: Achira has launched with a $33M seed round

I talked with CEO @jchodera.bsky.social about plans to combine AI- and physics-based methods for drug discovery and moving beyond 45 years of the same type of models behind molecular dynamics.

My latest @endpts.com:

endpts.com/achira-raise...

We're excited to announce we've raised a Seed round with Dimension, Amplify, NVIDIA NVentures, and Compound!

Read more about our mission at achira.ai

Achira Building foundation simulation models for drug discovery

We have a website! achira.ai

Nvidia-backed Achira debuts, blending AI and physics to model molecules As he was testing new antivirals to halt a future pandemic, John Chodera encountered an unlikely set of new problems that ultimately helped lead to his new job. The computational ...

Stoked to be part of the founding team @achira-ai.bsky.social ! We're building physics into AI to shape the future of drug discovery. If this sounds like the sort of thing you're also into, hit me up!

endpts.com/achira-raise...

This party is still happening, right?

Mind adding me? Thanks!