deepmodeling / deepmodeling/Uni-Mol

sdf file does not exist in casp2016

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Description

hi all,

the train, valid.lmdb contains pdb and smiles that are not included in casp. may i ask where it is from?

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Research direction

Start by locating the train and valid.lmdb dataset entries and compare their PDB and SMILES records with the CASP2016 files. Trace the dataset provenance or generation notes to identify where these records came from; done means documenting the source and resolving why they are absent from CASP2016.

Written by the indexing model from the issue text.

Assessment

Domain
data
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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