GeminiMol / GeminiMol_testset_results.csv
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,RMSE,PEARSONR,SPEARMANR
ShapeScore,0.031433,0.95777,0.934978
ShapeAggregation,0.028146,0.963953,0.938378
ShapeOverlap,0.027612,0.961772,0.938392
ShapeDistance,0.033833,0.940915,0.915759
CrossSim,0.029813,0.961554,0.940369
CrossAggregation,0.027155,0.966176,0.942047
CrossDist,0.029087,0.952708,0.926016
CrossOverlap,0.025565,0.966627,0.945369
MCS,0.035875,0.97344,0.969793