Ryan-Rhys Griffiths

EB1A. EB1A Green Card Template for Self-Petition

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

Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design. Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml/2019/sc/c9sc04026a

FlowMO. Library for training Gaussian Processes on Molecules

Heteroscedastic-BO. Heteroscedastic Bayesian Optimisation in Numpy

Mrk_335. Modelling the Multiwavelength Variability of Mrk-335 using Gaussian processes

GProTorch. Jupyter Notebook

PILCO. An Implementation of PILCO: Probabilistic Inference for Learning Control

Nanoparticle-Systems. Python

Nanoparticle-Systems-Interaction-Potential-Computation. A collection of Python scripts for computing the interaction potential energy profiles in nanoparticle systems including, but not limited to, nanoparticle-electrode ensembles. The two principle forces accounted for in the computations are the Coulombic interactions between dissociated charge-bearing ligands functionalising the surface of the nanoparticles in addition to intrinsic van der Waals forces between the metal cores of the nanoparticles.

Cyg_X1. Gaussian process modelling of lightcurves from Cyg-X1