problem on 'config.yml'

[prophet-Fang]

Hi arneschneuing,

Can you share your 'config.yml'? These parameters in 'train.py' confused me a lot.

Thanks!

[Arne Schneuing]

Hi @prophet-Fang, have you seen the example configuration file?
Is there a particular parameter that you're confused about?

[prophet-Fang]

That really helps a lot, thanks for your time!

[prophet-Fang]

Another question, why does 'pocket_one_hot' have a dimension of 10? (there are 20 kinds of amino acids)

[prophet-Fang]

Another question, why does 'pocket_one_hot' have a dimension of 10? (there are 20 kinds of amino acids)

this result is acquired by running 'process_bindingmoad.py' on the bindingmoad dataset.

[Arne Schneuing]

If you run the script in full-atom mode, the pocket is represented by atoms and we use 10 different atom types.

[Arne Schneuing]

Hi,
I am closing this issue now but feel free to re-open if you have further questions.
Best,
Arne