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  1. leojklarner/gauche leojklarner/gauche Public

    A Library for Gaussian Processes in Chemistry

    Jupyter Notebook 214 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