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Information about dataset #7

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ss62171 opened this issue Feb 14, 2022 · 0 comments
Open

Information about dataset #7

ss62171 opened this issue Feb 14, 2022 · 0 comments

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@ss62171
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ss62171 commented Feb 14, 2022

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

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