karina-zadorozhny commited on
Commit
1277229
·
verified ·
1 Parent(s): 05f1c13

Upload dataset

Browse files
CHEMBL264_Ki/test-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4bdc9538dce3328898508945e519d191efb57a02de426baf12af833a3eb79870
3
+ size 29070
CHEMBL264_Ki/train-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d0f974fe83f5057a267b0891ccdf4aa58fbe7ec69467dd82af8d36c81cab61d3
3
+ size 91549
README.md CHANGED
@@ -58,6 +58,35 @@ dataset_info:
58
  num_examples: 342
59
  download_size: 80022
60
  dataset_size: 201392
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
61
  configs:
62
  - config_name: CHEMBL2147_Ki
63
  data_files:
@@ -71,4 +100,10 @@ configs:
71
  path: CHEMBL228_Ki/train-*
72
  - split: test
73
  path: CHEMBL228_Ki/test-*
 
 
 
 
 
 
74
  ---
 
58
  num_examples: 342
59
  download_size: 80022
60
  dataset_size: 201392
61
+ - config_name: CHEMBL264_Ki
62
+ features:
63
+ - name: smiles
64
+ dtype: string
65
+ - name: exp_mean [nM]
66
+ dtype: float64
67
+ - name: y
68
+ dtype: float64
69
+ - name: cliff_mol
70
+ dtype: int64
71
+ - name: activity_value
72
+ dtype: float64
73
+ - name: protein_sequence
74
+ dtype: 'null'
75
+ - name: chembl_id
76
+ dtype: string
77
+ - name: task
78
+ dtype: string
79
+ - name: __index_level_0__
80
+ dtype: int64
81
+ splits:
82
+ - name: train
83
+ num_bytes: 268222
84
+ num_examples: 2288
85
+ - name: test
86
+ num_bytes: 67548
87
+ num_examples: 574
88
+ download_size: 120619
89
+ dataset_size: 335770
90
  configs:
91
  - config_name: CHEMBL2147_Ki
92
  data_files:
 
100
  path: CHEMBL228_Ki/train-*
101
  - split: test
102
  path: CHEMBL228_Ki/test-*
103
+ - config_name: CHEMBL264_Ki
104
+ data_files:
105
+ - split: train
106
+ path: CHEMBL264_Ki/train-*
107
+ - split: test
108
+ path: CHEMBL264_Ki/test-*
109
  ---