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Datasets:
scbirlab
/
lyu-wang-balius-singh-2019-d4

Tasks:
Text Classification
Zero-Shot Classification
Text2Text Generation
Modalities:
Tabular
Text
Formats:
csv
Size:
100M - 1B
Tags:
chemistry
SMILES
docking
Libraries:
Datasets
Dask
License:
Dataset card Viewer Files Community
3
Eachan Johnson commited on
Commit
e1417b6
•
1 Parent(s): 1340139

Add data

Browse files
This view is limited to 50 files because it contains too many changes.   See raw diff
Files changed (50) hide show
  1. chunked/d4-dock_000.csv.gz +3 -0
  2. chunked/d4-dock_000.log +22 -0
  3. chunked/d4-dock_001.csv.gz +3 -0
  4. chunked/d4-dock_001.log +22 -0
  5. chunked/d4-dock_002.csv.gz +3 -0
  6. chunked/d4-dock_002.log +22 -0
  7. chunked/d4-dock_003.csv.gz +3 -0
  8. chunked/d4-dock_003.log +22 -0
  9. chunked/d4-dock_004.csv.gz +3 -0
  10. chunked/d4-dock_004.log +22 -0
  11. chunked/d4-dock_005.csv.gz +3 -0
  12. chunked/d4-dock_005.log +22 -0
  13. chunked/d4-dock_006.csv.gz +3 -0
  14. chunked/d4-dock_006.log +22 -0
  15. chunked/d4-dock_007.csv.gz +3 -0
  16. chunked/d4-dock_007.log +22 -0
  17. chunked/d4-dock_008.csv.gz +3 -0
  18. chunked/d4-dock_008.log +22 -0
  19. chunked/d4-dock_009.csv.gz +3 -0
  20. chunked/d4-dock_009.log +22 -0
  21. chunked/d4-dock_010.csv.gz +3 -0
  22. chunked/d4-dock_010.log +22 -0
  23. chunked/d4-dock_011.csv.gz +3 -0
  24. chunked/d4-dock_011.log +22 -0
  25. chunked/d4-dock_012.csv.gz +3 -0
  26. chunked/d4-dock_012.log +22 -0
  27. chunked/d4-dock_013.csv.gz +3 -0
  28. chunked/d4-dock_013.log +22 -0
  29. chunked/d4-dock_014.csv.gz +3 -0
  30. chunked/d4-dock_014.log +22 -0
  31. chunked/d4-dock_015.csv.gz +3 -0
  32. chunked/d4-dock_015.log +22 -0
  33. chunked/d4-dock_016.csv.gz +3 -0
  34. chunked/d4-dock_016.log +22 -0
  35. chunked/d4-dock_017.csv.gz +3 -0
  36. chunked/d4-dock_017.log +22 -0
  37. chunked/d4-dock_018.csv.gz +3 -0
  38. chunked/d4-dock_018.log +22 -0
  39. chunked/d4-dock_019.csv.gz +3 -0
  40. chunked/d4-dock_019.log +22 -0
  41. chunked/d4-dock_020.csv.gz +3 -0
  42. chunked/d4-dock_020.log +22 -0
  43. chunked/d4-dock_021.csv.gz +3 -0
  44. chunked/d4-dock_021.log +22 -0
  45. chunked/d4-dock_022.csv.gz +3 -0
  46. chunked/d4-dock_022.log +22 -0
  47. chunked/d4-dock_023.csv.gz +3 -0
  48. chunked/d4-dock_023.log +22 -0
  49. chunked/d4-dock_024.csv.gz +3 -0
  50. chunked/d4-dock_024.log +22 -0
chunked/d4-dock_000.csv.gz ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ size 36883772
chunked/d4-dock_000.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ func: <function _convert at 0x7f5480e92a20>
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+ Error counts:
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+ scaffold: 1
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+ tpsa: 1
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+ ⏰ Completed process in 0:22:30.151730
chunked/d4-dock_001.csv.gz ADDED
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+ size 33259263
chunked/d4-dock_001.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ id: 0
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+ tpsa: 0
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+ ⏰ Completed process in 0:21:46.451323
chunked/d4-dock_002.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 31300140
chunked/d4-dock_002.log ADDED
@@ -0,0 +1,22 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ func: <function _convert at 0x7fb87c82aa20>
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+ id: 0
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+ smiles: 0
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+ scaffold: 0
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+ mwt: 0
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+ clogp: 0
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+ tpsa: 0
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+ ⏰ Completed process in 0:21:27.089338
chunked/d4-dock_003.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 32727854
chunked/d4-dock_003.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ func: <function _convert at 0x7f0362fe2a20>
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+ ⏰ Completed process in 0:22:26.164630
chunked/d4-dock_004.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 33145400
chunked/d4-dock_004.log ADDED
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ options: ['prefix=SCB-']
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+ ⏰ Completed process in 0:22:30.271494
chunked/d4-dock_005.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 31891519
chunked/d4-dock_005.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ scaffold: 0
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+ tpsa: 0
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+ ⏰ Completed process in 0:22:28.916154
chunked/d4-dock_006.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 31855147
chunked/d4-dock_006.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ ⏰ Completed process in 0:21:55.902736
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+ version https://git-lfs.github.com/spec/v1
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chunked/d4-dock_007.log ADDED
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ ⏰ Completed process in 0:21:26.395170
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+ version https://git-lfs.github.com/spec/v1
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+ size 32270484
chunked/d4-dock_008.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ clogp: 0
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+ tpsa: 0
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+ ⏰ Completed process in 0:22:37.260826
chunked/d4-dock_009.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 32043424
chunked/d4-dock_009.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ func: <function _convert at 0x7f78c97c2a20>
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+ mwt: 0
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+ clogp: 0
21
+ tpsa: 0
22
+ ⏰ Completed process in 0:22:46.049916
chunked/d4-dock_010.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 37493619
chunked/d4-dock_010.log ADDED
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ tpsa: 0
22
+ ⏰ Completed process in 0:22:34.399038
chunked/d4-dock_011.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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chunked/d4-dock_011.log ADDED
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ representation: SMILES
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+ column: smiles
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+ options: ['prefix=SCB-']
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+ ⏰ Completed process in 0:22:37.508337
chunked/d4-dock_012.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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chunked/d4-dock_012.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ representation: SMILES
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+ column: smiles
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+ prefix: None
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ options: ['prefix=SCB-']
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+ func: <function _convert at 0x7f69bda9aa20>
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+ smiles: 0
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+ mwt: 0
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+ clogp: 0
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+ tpsa: 0
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+ ⏰ Completed process in 0:22:32.197440
chunked/d4-dock_013.csv.gz ADDED
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+ version https://git-lfs.github.com/spec/v1
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chunked/d4-dock_013.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ to: ['id', 'smiles', 'scaffold', 'mwt', 'clogp', 'tpsa']
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+ ⏰ Completed process in 0:22:56.023123
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+ version https://git-lfs.github.com/spec/v1
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+ size 35948155
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ ⏰ Completed process in 0:23:14.210133
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+ version https://git-lfs.github.com/spec/v1
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+ size 32997781
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:15.600828
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+ version https://git-lfs.github.com/spec/v1
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
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+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:23:22.738810
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+ version https://git-lfs.github.com/spec/v1
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:39.730332
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+ version https://git-lfs.github.com/spec/v1
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:35.181625
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+ version https://git-lfs.github.com/spec/v1
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+ size 34830381
chunked/d4-dock_019.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ ⏰ Completed process in 0:22:10.920267
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+ version https://git-lfs.github.com/spec/v1
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
4
+ subcommand: convert
5
+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ input: <_io.TextIOWrapper name='<stdin>' mode='r' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:35.579393
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+ version https://git-lfs.github.com/spec/v1
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
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+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ format: csv
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+ ⏰ Completed process in 0:22:24.991804
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+ version https://git-lfs.github.com/spec/v1
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
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+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:03.134320
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+ version https://git-lfs.github.com/spec/v1
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+ size 35142170
chunked/d4-dock_023.log ADDED
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1
+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
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+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:46.552937
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+ version https://git-lfs.github.com/spec/v1
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+ Failed to find the pandas get_adjustment() function to patch
2
+ Failed to patch pandas - PandasTools will have limited functionality
3
+ 🚀 Converting between string representations with the following parameters:
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+ subcommand: convert
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+ output: <_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>
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+ ⏰ Completed process in 0:22:40.684542