Machine Learning for Drug Discovery at ICLR 2022
For the last decade, the field of deep learning and AI has been dominated by applications to...
ZONTAL Blog
Information on digital transformation for life sciences organizations
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Fragment Ligand Generation
Extremely data-efficient ligand generation
What is a sufficient number of data points to train...
Protein Representation Learning by Geometric Structure Pretraining
The study of structural biochemistry is based on the axiom that “structure determines...
A new state-of-the-art model for molecular conformer generation
In structure-based drug discovery, most methods rely on two key elements of accuracy: accurate...
Deep learning methods for designing proteins scaffolding functional sites
In a recent preprint from the Baker Lab, Jue Wang et. al. outlined a framework for protein...
Design of protein binding proteins from target structure alone
How do you design a protein that binds to another protein given only the target protein structure?...
A General Training Algorithm for Self-supervised Learning
What would you give to be able to train a neural network with 5% of the labels that you...