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2 sponsors have funded a-r-j’s work.
Featured work
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a-r-j/graphein
Protein Graph Library
Jupyter Notebook 1,019 -
Ryan-Rhys/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
Python 82 -
a-r-j/DrugTranslatoR
R package for translating between drug identifiers using the Chemical Translation Service (CTS)
R 3 -
a-r-j/FlowMO
Library for training Gaussian Processes on Molecules
Python