pramodkp

python environment and package dependencies

1

Great work, Trying to run this so please can you put a requirement file with versions of python ,torch, sklearn etc. How to run this for the different target inhibitors.

Hi , I am curious to know that how to predict the external dataset for a trained model. For example , I did train and evaluate the GCNN model for...

I have installed diffdock from github and fair-esm from pip. unzip the esm into diffdock. I try to run the extract.py as given in the readme file . I am...