8 citations · 9 across the 6 of their papers we have counts for
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q-bio.BM2024★ 1 cited
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
Leo Klarner, Tim G. J. Rudner, Garrett M. Morris +2
Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful ap…
cs.LG2024★ 8 cited
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints
Markus Dablander, Thierry Hanser, Renaud Lambiotte +1
Extended-connectivity fingerprints (ECFPs) are a ubiquitous tool in current cheminformatics and molecular machine learning, and one of the most prevalent molecular feature extracti…