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EPiCs-group / obelix-ml-pipeline

Data and code related to the ML pipeline used in the paper "Probing Machine Learning Models Based on High-Throughput Experimentation Data for the Discovery of Asymmetric Hydrogenation Catalysts"
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Add OHE for ligands #12

Closed akalikadien closed 6 months ago

akalikadien commented 1 year ago

Also modify representation_variables.py and load_representation.py