ngminhtri0394/gefa

Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction

gefa's Issues

How to run in our datasets?

Hi, we have a new datasets to run GEFA. Could you give us some instructions on the steps.

Contact map and secondary structure prediction

Hi there,

In the paper, you mentioned the contact map was predicted by RaptorX.

I tried to re-produce the contact map, ss8 and acc files with the latest version of RaptorX. But the results were different from your data/profile files.

May I know more about/Could you please release the code to produce those files?

Many thanks.

Data folder

Hi, may I know if the data folder will be released? Thank you.

Data file damaged?

Hi there,

I cloned this repo and would like to test the model.
However, the data.tar.gz seems like damaged as it is just a text file and cannot be unzipped.

Could you please take a look?

Thank you.

PDBbind dataset

Hi, may I know how to process xxxx_ligand.mol2 file in PDBbind dataset? Thank you.