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Found 2 papers, 2 papers with code
Context-enriched molecule representations improve few-shot drug discovery
Our novel concept for molecule representation enrichment is to associate molecules from both the support set and the query set with a large set of reference (context) molecules through a Modern Hopfield Network.
Interpretable Deep Learning in Drug Discovery
Without any means of interpretation, neural networks that predict molecular properties and bioactivities are merely black boxes.
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