Repository for "Experimental Uncertainty in Training Data for Protein-Ligand Binding Affinity Prediction Models"
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Repository for "Experimental Uncertainty in Training Data for Protein-Ligand Binding Affinity Prediction Models"ChEMBL_33.tsv contains the raw data as downloaded from ChEMBLData_Processing_ChEMBL33.ipynb contains all the code necesary to reproduce the results reported in the manuscript.
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2023-09-30
