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1. leojklarner/gauche leojklarner/gauche Public

   A Library for Gaussian Processes in Chemistry

   Jupyter Notebook 220 22

2. The-Photoswitch-Dataset The-Photoswitch-Dataset Public

   Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/content/articlehtml/2022/sc/d2sc04306h

   Python 84 13

3. FlowMO FlowMO Public

   Library for training Gaussian Processes on Molecules

   Python 36 15

4. Mrk_335 Mrk_335 Public

   Modelling the Multiwavelength Variability of Mrk-335 using Gaussian processes

   Python 13 2

5. Heteroscedastic-BO Heteroscedastic-BO Public

   Heteroscedastic Bayesian Optimisation in Numpy

   Python 21 2

6. PILCO PILCO Public

   An Implementation of PILCO: Probabilistic Inference for Learning Control

   Python 3 1