Saga Fan

Error when using DGL_GCN to run DTI model

2

Hello, I got below errors when constructing DTI predicting model using GCN implemented in DeepPurpose (DGL) both in 1 gpu and 3 gpus. Drug Target Interaction Prediction Mode... in total:...

Cannot running GNN+Transformer model

3

Hi, This error happened only in GNN+Transformer model. Let's use 1 GPU! --- Data Preparation --- --- Go for Training --- Traceback (most recent call last): File "Pharos_DeepPurpose_ATFP_clf_demo.py", line 103,...

Can af_cyc_design generate cyclic pepitide with D-Amino acid

1

Hi, I have run a test by af_cyc_design. The result cyclic pepitide are consist of L-Amino acid. Is it possible to generate cyclic pepitide consist of L-Amino and D-Amino acid?

Cannot output docking score in version of 0.3.2

2

Hi researchers! Nice job which help me a lot! When I run a docking in version of 0.3.2, there were nothing in these 3 files. If I change version of...