How do you train for particular target and predict new molecules?

[rajiv03]

Hi, I see you gave trained examples for a target, Please show me how I train for particular target ?

[rizaozcelik]

Transfer learning is the simplest approach one can use. The gist of transfer learning is using a list of molecules with a specific property (such as high binding affinity) to further train a model, i.e. fine-tuning.

README and the examples show how you can do transfer learning with this repository.

[rizaozcelik]

Closing due to inactivity