leojklarner

context-guided-diffusion

Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design

docs_test

Drug-Discovery-under-Covariate-Shift

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

FlowMO

Library for training Gaussian Processes on Molecules

gauche

A Library for Gaussian Processes in Chemistry

leojklarner.github.io

Q-SAVI

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

rxnfp

Rxnfp fork without dependencies to make GAUCHE pip installable.

uniqplus-aiml-2022

UNIQplus_intro_to_python

Introduction to interactive python programming for UNIQ+ students.

leojklarner/gauche

A Library for Gaussian Processes in Chemistry

leojklarner/context-guided-diffusion

Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design

leojklarner/Q-SAVI

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

leojklarner/FlowMO

Library for training Gaussian Processes on Molecules

leojklarner/UNIQplus_intro_to_python

Introduction to interactive python programming for UNIQ+ students.

leojklarner/docs_test

leojklarner/Drug-Discovery-under-Covariate-Shift

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

leojklarner/leojklarner.github.io

leojklarner/rxnfp

Rxnfp fork without dependencies to make GAUCHE pip installable.

leojklarner/uniqplus-aiml-2022

leojklarner/webpage_dev