getting in an arms race with LLMs over em-dashes by using dashes so long ——— so very long ——— that they have never appeared in training data

www.kaggle.com/competitions...
Kaggle competition on molecular property prediction for polymers

Excited to unveil Boltz-2, our new model capable not only of predicting structures but also binding affinities! Boltz-2 is the first AI model to approach the performance of FEP simulations while being more than 1000x faster! All open-sourced under MIT license! A thread… 🤗🚀

Are you looking for a postdoc position in #SpatialBiology?

We're advertising roles in both mathematical method development and in spatial data analysis @ox.ac.uk in colorectal precancer spatial biology!

Method Development: tinyurl.com/4vcbdjcy 🧮
Data Interpretation: tinyurl.com/yzsp729s 🧪

No Foundations without Foundations -- Why semi-mechanistic models are essential for regulatory biology Despite substantial efforts, deep learning has not yet delivered a transformative impact on elucidating regulatory biology, particularly in the realm of predicting gene expression profiles. Here, we a...

No foundation without foundations - why semi-mechanistic models are essential for regulatory biology arxiv.org/abs/2501.19178

Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization The rapid and economical synthesis of novel bioactive compounds remains a significant hurdle in drug discovery efforts. This study demonstrates an integrated medicinal chemistry workflow that effectiv...

Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization | ChemRxiv - doi.org/10.26434/che... #compchem

Active Learning Enables Extrapolation in Molecular Generative Models Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the known molecules seen in tr...

Active Learning Enables Extrapolation in Molecular Generative Models arxiv.org/abs/2501.02059 #compchem

Tomorrow, in the reading group, Johannes Brehmer will present his paper "Does equivariance matter at scale?" arxiv.org/abs/2410.23179

Join us on zoom at 12pm ET / 6pm CET: portal.valencelabs.com/logg

Happy 1^3+2^3+3^3+4^3+5^3+6^3+7^3+8^3+9^3, everyone!