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This repository has been archived by the owner on Nov 19, 2024. It is now read-only.
Hi,
Can you please explain the data structure of crossdocked_pocket10?
For example: 1eqc_A_rec_1eqc_cts_lig_tt_docked_0_pocket10.pdb
So here if we split using _ what are the terms like 1eqc, cts etc.
Same for .sdf files like 4m81_A_rec_4m81_glf_lig_tt_min_0.sdf
Also how did you convert crossdocked original dataset to this pocket dataset and then how to dump data into index.pkl file?
Thanks
The text was updated successfully, but these errors were encountered:
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Hi,
Can you please explain the data structure of crossdocked_pocket10?
For example:
1eqc_A_rec_1eqc_cts_lig_tt_docked_0_pocket10.pdb
So here if we split using
_
what are the terms like1eqc
,cts
etc.Same for
.sdf
files like4m81_A_rec_4m81_glf_lig_tt_min_0.sdf
Also how did you convert crossdocked original dataset to this pocket dataset and then how to dump data into
index.pkl
file?Thanks
The text was updated successfully, but these errors were encountered: