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Datasets:
BALM
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BALM-benchmark

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Size:
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Tags:
chemistry
deep learning
protein-ligand binding affinity
biology
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License:
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1
aryopg commited on
Commit
475a409
·
verified ·
1 Parent(s): 0fc3e40

Update config

Browse files
Files changed (1) hide show
  1. README.md +37 -37
README.md CHANGED
@@ -2,99 +2,99 @@
2
  dataset_info:
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  - config_name: bindingdb_filtered
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  features:
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- - Index:
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  dtype: int32
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- - Drug_ID:
8
  dtype: string
9
- - Drug:
10
  dtype: string
11
- - Target_ID:
12
  dtype: string
13
- - Target:
14
  dtype: string
15
- - Y:
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  dtype: float32
17
  splits:
18
  - name: train
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  num_examples: 24700
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  - config_name: CATS
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  features:
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- - Index:
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  dtype: int32
24
- - Compound ID:
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  dtype: string
26
- - Drug:
27
  dtype: string
28
- - IC50:
29
  dtype: float32
30
- - Target:
31
  dtype: string
32
- - Y:
33
  dtype: float32
34
  splits:
35
  - name: train
36
  num_examples: 136
37
  - config_name: HSP9
38
  features:
39
- - Index:
40
  dtype: int32
41
- - Dataset_ID:
42
  dtype: string
43
- - Y:
44
  dtype: float32
45
- - Drug:
46
  dtype: string
47
- - Target:
48
  dtype: string
49
  splits:
50
  - name: train
51
  num_examples: 180
52
  - config_name: leakypdb
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  features:
54
- - Index:
55
  dtype: int32
56
- - header:
57
  dtype: string
58
- - smiles:
59
  dtype: string
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- - category:
61
  dtype: string
62
- - seq:
63
  dtype: string
64
- - resolution:
65
  dtype: float32
66
- - date:
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  dtype: string
68
- - type:
69
  dtype: string
70
- - new_split:
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  dtype: string
72
- - CL1:
73
  dtype: bool
74
- - CL2:
75
  dtype: bool
76
- - CL3:
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  dtype: bool
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- - remove_for_balancing_val:
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  dtype: bool
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- - kd/ki:
81
  dtype: string
82
- - value:
83
  dtype: float32
84
- - covalent:
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  dtype: bool
86
  splits:
87
  - name: train
88
  num_examples: 19443
89
  - config_name: Mpro
90
  features:
91
- - Index:
92
  dtype: int32
93
- - Drug:
94
  dtype: string
95
- - Y:
96
  dtype: float32
97
- - Target:
98
  dtype: string
99
  splits:
100
  - name: train
 
2
  dataset_info:
3
  - config_name: bindingdb_filtered
4
  features:
5
+ - name: Index
6
  dtype: int32
7
+ - name: Drug_ID
8
  dtype: string
9
+ - name: Drug
10
  dtype: string
11
+ - name: Target_ID
12
  dtype: string
13
+ - name: Target
14
  dtype: string
15
+ - name: Y
16
  dtype: float32
17
  splits:
18
  - name: train
19
  num_examples: 24700
20
  - config_name: CATS
21
  features:
22
+ - name: Index
23
  dtype: int32
24
+ - name: Compound ID
25
  dtype: string
26
+ - name: Drug
27
  dtype: string
28
+ - name: IC50
29
  dtype: float32
30
+ - name: Target
31
  dtype: string
32
+ - name: Y
33
  dtype: float32
34
  splits:
35
  - name: train
36
  num_examples: 136
37
  - config_name: HSP9
38
  features:
39
+ - name: Index
40
  dtype: int32
41
+ - name: Dataset_ID
42
  dtype: string
43
+ - name: Y
44
  dtype: float32
45
+ - name: Drug
46
  dtype: string
47
+ - name: Target
48
  dtype: string
49
  splits:
50
  - name: train
51
  num_examples: 180
52
  - config_name: leakypdb
53
  features:
54
+ - name: Index
55
  dtype: int32
56
+ - name: header
57
  dtype: string
58
+ - name: smiles
59
  dtype: string
60
+ - name: category
61
  dtype: string
62
+ - name: seq
63
  dtype: string
64
+ - name: resolution
65
  dtype: float32
66
+ - name: date
67
  dtype: string
68
+ - name: type
69
  dtype: string
70
+ - name: new_split
71
  dtype: string
72
+ - name: CL1
73
  dtype: bool
74
+ - name: CL2
75
  dtype: bool
76
+ - name: CL3
77
  dtype: bool
78
+ - name: remove_for_balancing_val
79
  dtype: bool
80
+ - name: kd/ki
81
  dtype: string
82
+ - name: value
83
  dtype: float32
84
+ - name: covalent
85
  dtype: bool
86
  splits:
87
  - name: train
88
  num_examples: 19443
89
  - config_name: Mpro
90
  features:
91
+ - name: Index
92
  dtype: int32
93
+ - name: Drug
94
  dtype: string
95
+ - name: Y
96
  dtype: float32
97
+ - name: Target
98
  dtype: string
99
  splits:
100
  - name: train