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06/26/2023
Tanimoto Random Features for Scalable Molecular Machine Learning
The Tanimoto coefficient is commonly used to measure the similarity betw...
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01/31/2023
Retrosynthetic Planning with Dual Value Networks
Retrosynthesis, which aims to find a route to synthesize a target molecu...
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05/05/2022
Meta-learning Feature Representations for Adaptive Gaussian Processes via Implicit Differentiation
We propose Adaptive Deep Kernel Fitting (ADKF), a general framework for ...
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06/16/2020