ardigen / MAT

The official implementation of the Molecule Attention Transformer.
MIT License
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Reproducing performance on downstream tasks #16

Open jk3472 opened 2 years ago

jk3472 commented 2 years ago

Hello! I am trying to reproduce the results on downstream tasks (e.g. BBBP, estrogen-alpha, estrogen-beta, and so on). I used the pre-trained model released in this repository and fine-tuned it on each downstream task for 100 epochs as guided in the paper. But I could not reproduce the results in the paper. I suppose my fine-tuning process is quite different from yours. Can I ask for the fine-tuning codes or more details on the fine-tuning process?

Thank you and nice work!