Comments (1)
the script is mostly provided as a template for what you could use in your own environment. you may need to change the paths to match the structure reflected on your system. I think your issue lies in the find docking_parse_pipeline_test_run/**/*_pocket.pdb
which would need to be adapted to find (no pun intended) the pocket.pdb files in your system. If it still isn't working, let us know and we can try to improve the documentation.
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Related Issues (13)
- Checkpoints broken link HOT 2
- How can I download "INDEX_core_data.2016" from PDBbind_2016_plain_text_index? HOT 1
- Where / how to get the pose files: *_ligand_pose_*.mol2 HOT 1
- All the data file variables/arguments are linked to "/p/lscratchh/jones289/data/". How were the hdf file generated?
- Training Data
- the core dataset HOT 10
- Reference file is missing
- model/fusion/main_fusion_pdbbind.py is missing
- Incomplete data processing HOT 1
- Can pytorch version 3dcnn reproduce the results of paper? HOT 1
- Why `partialchrage` of pocket or ligand should not be ALL 0? HOT 2
- How can I use Deepfusion to predict the binding affinity of a new complex HOT 3
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