pnnl / FragNet

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no output #2

Open LIU26549 opened 1 week ago

LIU26549 commented 1 week ago

There is no output and display "0it [00:00, ?it/s]" when I run the command "python data_create/create_pretrain_datasets.py --save_path pretrain_data/esol --data_type exp1s --maxiters 500 --raw_data_path finetune_data/moleculenet/esol/raw/delaney-processed.csv" with anaconda. How can i figure it out please? Would you please give me some help please? Thank you very much. eded02bf2ef8cc7f815b52f11dde56c

gihanpanapitiya commented 1 week ago

Hello, Can you try executing the command at the FragNet-master directory? Go to FragNet-master. Then execute the following command,

python fragnet/data_create/create_pretrain_datasets.py --save_path fragnet/pretrain_data/esol --data_type exp1s --maxiters 500 --raw_data_path fragnet/finetune_data/moleculenet/esol/raw/delaney-processed.csv

The pre-training data should get created at fragnet/pretrain_data/esol.

To create finetuning data run the following at FragNet-master,

python fragnet/data_create/create_finetune_datasets.py --dataset_name moleculenet --dataset_subset esol --use_molebert True --output_dir fragnet/finetune_data/moleculenet_exp1s --data_dir fragnet/finetune_data/moleculenet --data_type exp1s

LIU26549 commented 1 week ago

88c43a30bcd8d3a4c8064cd26f0965d

Hello, Can you try executing the command at the FragNet-master directory? Go to FragNet-master. Then execute the following command,

python fragnet/data_create/create_pretrain_datasets.py --save_path fragnet/pretrain_data/esol --data_type exp1s --maxiters 500 --raw_data_path fragnet/finetune_data/moleculenet/esol/raw/delaney-processed.csv

The pre-training data should get created at fragnet/pretrain_data/esol.

To create finetuning data run the following at FragNet-master,

python fragnet/data_create/create_finetune_datasets.py --dataset_name moleculenet --dataset_subset esol --use_molebert True --output_dir fragnet/finetune_data/moleculenet_exp1s --data_dir fragnet/finetune_data/moleculenet --data_type exp1s

thank you reply, I adopted your method,but it not successful 88c43a30bcd8d3a4c8064cd26f0965d