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knu-lcbc / RetroTRAE

Retrosynthetic prediction with Atom Environments
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file request #7

Closed MSDP4DOM closed 1 year ago

MSDP4DOM commented 1 year ago

Amazing work, thanks for your contribution! I tried to interpret the work by replicating the codes, however, when I run the retrotrae\src\train.py I got an FileNotFoundError: [Errno 2] No such file or directory: 'data/src/bi_train.txt', I followed the clue find that trian.txt was defined inparameters.py, But I can't find the files in this repository. Maybe I missed something, could you please help fix it? Mant thanks!

ashyrmamatov01 commented 1 year ago

Thank you for your interest in our work.

In order to train a model from scratch, please follow the following steps:

  1. Extract raw data after clonning the Github repo: 
    tar -xf data/raw_data.tar.bz2 -C data/

  2. Apply tokenization scheme and split the data:

    python src/tokenizer_with_split.py --model_type='bi'

    --model_type option can be uni or bi

    1. Start training. Use --help option to check the training arguments. 
      python src/train.py --model_type='bi'

Please refer to the Training section in the README.md file.

MSDP4DOM commented 1 year ago

Thank you so much for your kind response! it works!