Published May 12, 2021
| Version v1
Dataset
Open
Re-docked or cross-docked: which pose shall we trust when constructing a machine learning classifier for protein-ligand binding pose prediction?
Authors/Creators
- 1. College of Pharmaceutical Sciences, Hangzhou Institute of Innovative Medicine, Zhejiang University
Description
Datasets, features, and some representative scripts utilized in the paper "Re-docked or cross-docked: which pose shall we trust when constructing a machine learning classifier for protein-ligand binding pose prediction?".
Files
features.zip
Files
(5.5 GB)
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md5:ac3e9a873fffddd69feb1b86b35aa4b4
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663.0 MB | Preview Download |
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md5:f7a34f406d05921d6b46e9595d909ace
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218.2 MB | Download |
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md5:641e595469b1d7047cbeb6bc45c18545
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1.9 GB | Download |
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md5:0eeca1ac7fabaae1aa194dfcfcd2acff
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2.7 GB | Download |
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md5:9d87cba7a172f393ec15a687e321c36e
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2.4 kB | Preview Download |
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md5:fdb0b6f02fb56045a62fb9eacd869cee
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2.2 MB | Preview Download |