Usage problem

[ActionBeam]

There are two files in pdbbind_core.json: label_file and complex_id_file, but they do not seem to be available in your tutorials. Additionally, posebusters.json contains the same content as pdbbind_core.json.

[Noisyntrain]

Hi ActionBeam, the 'label_file' and 'complex_id_file' is used for the data generating, as the processed npzs are provided(in 'cache_dir'), they are not needed during inference. The posebsuter.json's issue has been fixed, you can pull to latest version to check. Hope this can be helpful to you.

[ActionBeam]

I noticed that latest version only updated 'reproduce_posebuster.sh', I mean the content of 'posebuster.json' is:
{
"test": {
"posebuster" : {
"data_dir": "../data/PDBbind_v2020/complex/",
"label_file": "../data_info/INDEX_general_PL_data.2020",
"complex_id_file": "../data/PDBbind_v2020/complex_ids/casf_test.txt",
"cache_dir": "data/processed/posebuster_processed",
which "data_dir" and "label_file" are same as "pdbbind_core.json"