Published July 22, 2024
| Version v1.0.0
Dataset
Open
DockM8_Benchmarking_results
Creators
-
1.
Helmholtz Institute for Pharmaceutical Research Saarland
-
2.
Saarland University
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3.
Helmholtz Centre for Infection Research
Description
The repository contains the benchmarking data obtained alongside the first version of DockM8.
The file structure is explained in DockM8_v1_file_structure_explanation.txt
We hope this data is useful for benchmarking scoring functions and machine learning models, as well as being a large repository of pre-docked poses using a variety of algorithms.
Files
DEKOIS_2.0x.zip
Files
(28.2 GB)
| Name | Size | Download all |
|---|---|---|
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md5:1c74293724f46e4adb35a7982487b529
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7.6 GB | Preview Download |
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md5:5f48f4fd090db65c8b94bcea0c444b85
|
469.8 MB | Preview Download |
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md5:4436153be88698bdc3e5345935183c62
|
2.4 kB | Preview Download |
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md5:928fa69739e795a8060ebe80fce2fde1
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10.9 GB | Preview Download |
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md5:9c4ed4c776b96a72ddcedbc7ac4aaa5b
|
205.1 MB | Preview Download |
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md5:01a2367393c6bea52aa559180521d515
|
9.0 GB | Preview Download |
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md5:1e2183f264dee5a19768d439b562b341
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9.6 MB | Preview Download |
Additional details
Dates
- Available
-
2024-05-14Data made available
Software
- Repository URL
- https://github.com/DrugBud-Suite/DockM8
- Programming language
- Python
- Development Status
- Active