evaluation/test.py has errors

[RyanZong2233]

evaluation/test.py seems to have some errors. I cannot run the command in your readme directly. Can you fix these errors? I will be quite appreciated if you can add some comments to your code.

Thanks

[Ellenzzn]

Could you please post your command and the detailed error information?

[RyanZong2233]

Could you please post your command and the detailed error information?

In test.py, line 35, 46-48 use 'args.pth', but you didn't pass this parameter.

I simply run the commandpython test.py

Besides, I want to evaluate the 'caption2smiles' task. Can you illustrate the detailed use of files 'get_csv.py' and 'evaluate_caption2smiles.py'?

[Ellenzzn]

The parameter is provided in "args.test_path". Sorry for the mistake. We have modified it. Since the evaluation module takes csv files as the input, therefore you can first convert the recording txt file into csv with 'get_csv.py', and then run 'evaluate_caption2smiles.py'. Remember to change the args.base_dir into the corresponding csv file that you want to evaluate.

[RyanZong2233]

I want to reproduce the molecule generation task. I run test.py with your checkpoint 'generation_noplug_base.pt' on the google drive, and predictions are all like 'extra_id_0> A(1+). A(1+).' It seems that it cannot generate molecules.