search

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
Other
188 stars 18 forks source link

How to solve this #9

Closed yxliu0907 closed 6 months ago

yxliu0907 commented 7 months ago

ce6444a3e39c516a32181022854710f This problem occurs when I execute pretrain.py with the default parameter.

chao1224 commented 7 months ago

Hi @yxliu0907, I suspect that this may be related to the package versions. Can you help share the complete screenshot?

chao1224 commented 6 months ago

Hi @yxliu0907,

I just tried the scripts, and everything works well on my end. Can you help elaborate more on your exceptions?

yxliu0907 commented 6 months ago

Thanks for answering. I found the question. I was afraid that the quantities of smiles.csv and CID2text.json did not match, so I filtered the CIDD2text.json. However, each piece of filtered data has an extra "[ ]".