leojklarner

Leo Klarner's repositories

A Library for Gaussian Processes in Chemistry

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Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions

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Library for training Gaussian Processes on Molecules

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Introduction to interactive python programming for UNIQ+ students.

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Code Repository Supplementing the Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions Paper

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Rxnfp fork without dependencies to make GAUCHE pip installable.

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