DALL·E 2, Imagen, and applications to chemistry
In the past two months, DALL·E 2 has taken over the internet. From Bart Simpson edited into...
Jacob Stern
Making chemistry knowledge machine-actionable
The history of chemistry has been epitomized by individual chemists coming up with hypotheses,...
Transformer Retrosynthesis
In drug discovery, there are two main approaches to hit finding: 1) virtual screening of existing...
Perspective: Interaction networks and AI for structure-based drug discovery
Many of our recent blog posts have dealt with physical modeling of small molecules and proteins....
Solving Inverse Problems with Conditional Diffusion Models
What is an inverse problem, and where do inverse problems appear in chemistry?In deep learning for...
Coarse-grained Molecular Dynamics with Geometric Machine Learning
We live an a world where chemistry computation is increasingly competitive with...
SELFIES and the future of molecular string representations
Neural sequence models have recently produced astonishing results in domains ranging from...