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IBM / molformer

Repository for MolFormer
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Accuracy using pretrained weights is 0.69 #20

Open zhanxw opened 6 months ago

zhanxw commented 6 months ago

The frozen_embeddings_classification.ipynb reported that the accuracy is 0.86. I rerun this notebook on two servers, and both have accuracy around 0.69. (notebook attached).

Has anyone else noticed a similar decrease in accuracy?

replicate.ipynb.zip

mtinti commented 4 months ago

if I use: test_df = pd.read_csv('../../data/bace/test.csv') insted of: test_df = pd.read_csv('../../data/bace/test.csv').sample(frac=0.1)

I get ROC 0.8374908290535583