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chao1224 / MoleculeSTM

Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)
https://chao1224.github.io/MoleculeSTM
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Toy Checkpoints for MoleculeSTM #6

Closed Greay83 closed 7 months ago

Greay83 commented 8 months ago

Hi, this is a very cool work, thanks for sharing this repository. We found that the performance of the toy checkpoints provided by huggingface is much lower than the results in the paper, whether it is because it has not been trained enough epochs. Could you please provide the details of the hyperparameters of the toy checkpoints? Thanks so much!

chao1224 commented 8 months ago

Hi @Greay83, The reason is that the hyperparameters in toy checkpoint are not optimal. We will release the optimal ones soon.

Greay83 commented 7 months ago

Thanks a lot. I'm looking forward it!