GeminiMol-MOD / GeminiMol_testset_results.csv
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,RMSE,PEARSONR,SPEARMANR
ShapeScore,0.031544,0.957839,0.934927
ShapeAggregation,0.027742,0.965213,0.939828
ShapeOverlap,0.027537,0.962675,0.94048
ShapeDistance,0.03345,0.941976,0.919851
CrossSim,0.030187,0.961358,0.941624
CrossAggregation,0.027051,0.966869,0.943397
CrossDist,0.029267,0.952534,0.92969
CrossOverlap,0.025135,0.968058,0.948323
MCS,0.035554,0.973728,0.969868