Navigating Chemical Space with Latent Flows
In this paper, we propose a new framework, ChemFlow, to traverse chemical space through navigating the latent space learned by molecule generative models through flows.
Sep 26, 2024
Multi-Scale Representation Learning for Protein Fitness Prediction
In this paper, we introduce the Sequence-Structure-Surface Fitness (S3F) model — a novel multimodal representation learning framework that integrates protein features across several scales.
Sep 26, 2024
Augmenting Evolutionary Models with Structure-based Retrieval
Jul 16, 2024
How to Go With the Flow: an Analysis of Flow Matching Molecular Docking Performance With Priors of Varying Information Content
Apr 29, 2024
An Energy Based Model for Incorporating Sequence Priors for Target-Specific Antibody Design
Dec 16, 2023
M2Hub: Unlocking the Potential of Machine Learning for Materials Discovery
In this paper, we introduce M2Hub, a toolkit for advancing machine learning in materials discovery.
Sep 22, 2023