Very excited to announce my first preprint (code included) with Bharath Ramsundar and Gabe Grand on utilizing transformers for molecular property prediction! arxiv.org/pdf/2010.09885… (1/n)

In a major scientific breakthrough, the latest version of #AlphaFold has been recognised as a solution to one of biology's grand challenges - the “protein folding problem”. It was validated today at #CASP14, the biennial Critical Assessment of protein Structure Prediction (1/3)

A powerful graph-based molecular generative model for computer aided drug discovery performs comparably to several SMILES based approaches #compchem go.nature.com/3hWANpZ @omarmNYU Elman Mansimov @RichBonneauNYU Kyunghyun Cho NYU Center for Data Science

Our work (Elman Mansimov, @RichBonneauNYU, Kyunghyun Cho) on masked graph modeling for molecule generation was published in Nature Communications! Paper: nature.com/articles/s4146… Thread: x.com/omarmNYU/statu…

But like… why???

Today Governor Kathy Hochul announced her transformational vision for Brooklyn and Queens. The Interborough Express, running along 14mi of existing freight tracks, would stretch from Bay Ridge to Jackson Hts and could connect up to 17 subway lines + LIRR, serving ~1M riders daily.

A few weeks ago I put together a slideshow providing an introduction to VAEs, conditional VAEs and semi-supervised VAEs. I'm now sharing this at omarnmahmood.github.io/files/generati… , hope it is helpful!

We are happy to present our latest work: 3D molecule generation by denoising voxel grids! 🧵 arxiv.org/abs/2306.07473

So excited to share that we won the best poster award!! ICML-Compbio-Workshop #ICML Omar Mahmood, Richard Bonneau, Kyunghyun Cho