Dear authors,
thanks for sharing this repo. May I ask how you get the matched pair and get the difference between pair of mols in the paper "Quantitative Evaluation of Explainable Graph Neural Networks for Molecular Property Prediction" for molecule property cliff datasets?
Thanks in advance!
Dear authors,
thanks for sharing this repo. May I ask how you get the matched pair and get the difference between pair of mols in the paper "Quantitative Evaluation of Explainable Graph Neural Networks for Molecular Property Prediction" for molecule property cliff datasets?
Thanks in advance!