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plinder-org
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plinder
Protein Ligand INteraction Dataset and Evaluation Resource
https://plinder.sh
Apache License 2.0
163
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rename ligand chains
#84
tomcastigl
opened
6 days ago
0
question about canonical smiles
#83
AliSaadatV
closed
1 week ago
1
Fix no space left on device error in CI during docker build
#82
tjduigna
opened
2 weeks ago
0
Updated Splits.py, added Custom_split example
#81
frgoe003
opened
2 weeks ago
2
Escape glob pattern
#80
padix-key
closed
3 weeks ago
1
Build docs for new tags
#79
padix-key
closed
3 weeks ago
0
Restructure main CI
#78
padix-key
closed
3 weeks ago
1
Lig loader minor fix
#77
OleinikovasV
closed
2 weeks ago
1
System 5gr1__1__1.A__1.D missing template ligand to holo ligand atom order stacks
#76
rachitk
closed
4 weeks ago
3
Suggestion: Better notification message for `plinder_download` when PLINDER_OFFLINE is set
#75
rachitk
closed
4 weeks ago
1
multi ligand eval
#74
OleinikovasV
opened
1 month ago
1
Wrong source links from documentation
#73
Endyff
closed
3 weeks ago
1
(Custom) Splits and DiffDock's weights
#72
Jakub-11
closed
3 weeks ago
4
holo_structures from PlinderSystem
#71
maciejwisniewski-drugdiscovery
closed
1 month ago
0
ligand_fixes
#70
OleinikovasV
opened
1 month ago
1
Fix eval v3000 dative bond issue
#69
yusuf1759
opened
1 month ago
3
about 'cluster'
#68
Getiann
closed
1 month ago
3
about the local plinder dir
#67
Getiann
closed
1 month ago
2
feat: add apo features
#66
yusuf1759
opened
1 month ago
1
Fix scoring bug, and tests
#65
Ninjani
closed
1 month ago
1
chore: remote notebooks folder
#64
yusuf1759
closed
1 month ago
0
Add split to query_index
#63
Ninjani
closed
1 month ago
1
Refactoring eval for better usability
#62
Ninjani
closed
1 month ago
1
System ID `8q5i__1__1.GA__1.ZB` missing DNA complex
#61
danielzeng-gt
opened
2 months ago
1
Enriching PLIP Interaction info
#60
leelasd
closed
2 months ago
2
Make Robust Loader
#59
yusuf1759
closed
1 month ago
1
Update MLSB docs
#58
yusuf1759
closed
2 months ago
0
Fix linked scores
#57
tjduigna
closed
2 months ago
1
Consolidate update MLSB notebook and fix docs bug
#56
OleinikovasV
closed
2 months ago
1
Export dataloader functionalities in `plinder.core.loader`
#55
padix-key
closed
2 months ago
1
Update mlsb notebook
#54
yusuf1759
closed
2 months ago
1
Cleanup again
#53
OleinikovasV
closed
1 month ago
1
Add examples to docs
#52
padix-key
closed
2 months ago
1
Cleanup dependencies
#51
yusuf1759
closed
2 months ago
1
Minor update to docs.
#50
yusuf1759
closed
2 months ago
0
I don't really want to reopen this, but it's still not clear what you used for training and testing. In plinder-pl50.parquet you have this many systems for train/val/test:
#49
patrickbryant1
closed
2 months ago
2
Fix cross references
#48
padix-key
closed
2 months ago
0
Add description of apo/pred links to dataset tutorial
#47
yusuf1759
closed
2 months ago
0
Fix PyPI publish again
#46
tjduigna
closed
2 months ago
0
Fix PyPI publish
#45
tjduigna
closed
2 months ago
1
Cache index table to decrease docs building times
#44
padix-key
closed
2 months ago
0
Publish `plinder` on PyPI for easier installation
#43
padix-key
closed
2 months ago
1
Add a sample notebook to load training and validation data
#42
yusuf1759
closed
2 months ago
1
Update website dataset docs
#41
OleinikovasV
closed
2 months ago
2
Minor readme fix
#40
yusuf1759
closed
2 months ago
0
Plinder system performance improvements
#39
tjduigna
closed
2 months ago
3
Add unit testing to eval code
#38
yusuf1759
closed
2 months ago
1
Move information from README to documentation
#37
padix-key
closed
2 months ago
5
Question on Docking Multi-Ligands and DiffDock Dataset Splits
#36
danielzeng-gt
closed
2 months ago
3
Add API reference
#35
padix-key
closed
2 months ago
1
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