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Add Antonia Mey email

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  1. README.md +149 -149
README.md CHANGED
@@ -1,149 +1,149 @@
1
- ---
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- dataset_info:
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- - config_name: bindingdb_filtered
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- features:
5
- - Index:
6
- dtype: int32
7
- - Drug_ID:
8
- dtype: string
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- - Drug:
10
- dtype: string
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- - Target_ID:
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- dtype: string
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- - Target:
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- dtype: string
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- - Y:
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- dtype: float32
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- splits:
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- - 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
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- - Compound ID:
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- dtype: string
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- - Drug:
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- dtype: string
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- - IC50:
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- dtype: float32
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- - Target:
31
- dtype: string
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- - Y:
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- dtype: float32
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- splits:
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- - name: train
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- num_examples: 136
37
- - config_name: HSP9
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- features:
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- - Index:
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- dtype: int32
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- - Dataset_ID:
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- dtype: string
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- - Y:
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- dtype: float32
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- - Drug:
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- dtype: string
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- - Target:
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- dtype: string
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- splits:
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- - name: train
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- num_examples: 180
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- - config_name: leakypdb
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- features:
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- - Index:
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- dtype: int32
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- - header:
57
- dtype: string
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- - smiles:
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- dtype: string
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- - category:
61
- dtype: string
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- - seq:
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- dtype: string
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- - resolution:
65
- dtype: float32
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- - date:
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- dtype: string
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- - type:
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- dtype: string
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- - new_split:
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- dtype: string
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- - CL1:
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- dtype: bool
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- - CL2:
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- dtype: bool
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- - 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:
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- dtype: string
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- - value:
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- dtype: float32
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- - covalent:
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- dtype: bool
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- splits:
87
- - name: train
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- num_examples: 19443
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- - config_name: Mpro
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- features:
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- - Index:
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- dtype: int32
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- - Drug:
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- dtype: string
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- - Y:
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- dtype: float32
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- - Target:
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- dtype: string
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- splits:
100
- - name: train
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- num_examples: 2749
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- configs:
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- - config_name: bindingdb_filtered
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- data_files:
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- - split: train
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- path: bindingdb_filtered/train/data-*
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- - config_name: CATS
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- data_files:
109
- - split: train
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- path: CATS/train/data-*
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- - config_name: HSP9
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- data_files:
113
- - split: train
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- path: HSP9/train/data-*
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- - config_name: leakypdb
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- data_files:
117
- - split: train
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- path: leakypdb/train/data-*
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- - config_name: Mpro
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- data_files:
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- - split: train
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- path: Mpro/train/data-*
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- license: cc-by-4.0
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- pretty_name: BALM-Benchmark
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- ---
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-
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- # Dataset Card for BALM-Benchmark
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-
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- <!-- Provide a quick summary of the dataset. -->
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-
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- ## Dataset Details
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-
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- ### Dataset Description
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-
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- ## Citation
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-
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- <!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->
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-
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- **BibTeX:**
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-
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- ```
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-
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- ```
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-
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- ## Dataset Card Contact
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-
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- - Rohan Gorantla (rohan.gorantla@ed.ac.uk)
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- - Aryo Pradipta Gema (aryo.gema@ed.ac.uk)
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- - Antonia Mey ()
 
1
+ ---
2
+ dataset_info:
3
+ - config_name: bindingdb_filtered
4
+ features:
5
+ - Index:
6
+ dtype: int32
7
+ - Drug_ID:
8
+ dtype: string
9
+ - Drug:
10
+ dtype: string
11
+ - Target_ID:
12
+ dtype: string
13
+ - Target:
14
+ dtype: string
15
+ - Y:
16
+ dtype: float32
17
+ splits:
18
+ - name: train
19
+ num_examples: 24700
20
+ - config_name: CATS
21
+ features:
22
+ - Index:
23
+ dtype: int32
24
+ - Compound ID:
25
+ 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
53
+ features:
54
+ - Index:
55
+ dtype: int32
56
+ - header:
57
+ dtype: string
58
+ - smiles:
59
+ dtype: string
60
+ - category:
61
+ dtype: string
62
+ - seq:
63
+ dtype: string
64
+ - resolution:
65
+ dtype: float32
66
+ - date:
67
+ dtype: string
68
+ - type:
69
+ dtype: string
70
+ - new_split:
71
+ dtype: string
72
+ - CL1:
73
+ dtype: bool
74
+ - CL2:
75
+ dtype: bool
76
+ - CL3:
77
+ dtype: bool
78
+ - remove_for_balancing_val:
79
+ dtype: bool
80
+ - kd/ki:
81
+ dtype: string
82
+ - value:
83
+ dtype: float32
84
+ - covalent:
85
+ 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
101
+ num_examples: 2749
102
+ configs:
103
+ - config_name: bindingdb_filtered
104
+ data_files:
105
+ - split: train
106
+ path: bindingdb_filtered/train/data-*
107
+ - config_name: CATS
108
+ data_files:
109
+ - split: train
110
+ path: CATS/train/data-*
111
+ - config_name: HSP9
112
+ data_files:
113
+ - split: train
114
+ path: HSP9/train/data-*
115
+ - config_name: leakypdb
116
+ data_files:
117
+ - split: train
118
+ path: leakypdb/train/data-*
119
+ - config_name: Mpro
120
+ data_files:
121
+ - split: train
122
+ path: Mpro/train/data-*
123
+ license: cc-by-4.0
124
+ pretty_name: BALM-Benchmark
125
+ ---
126
+
127
+ # Dataset Card for BALM-Benchmark
128
+
129
+ <!-- Provide a quick summary of the dataset. -->
130
+
131
+ ## Dataset Details
132
+
133
+ ### Dataset Description
134
+
135
+ ## Citation
136
+
137
+ <!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->
138
+
139
+ **BibTeX:**
140
+
141
+ ```
142
+
143
+ ```
144
+
145
+ ## Dataset Card Contact
146
+
147
+ - Rohan Gorantla (rohan.gorantla@ed.ac.uk)
148
+ - Aryo Pradipta Gema (aryo.gema@ed.ac.uk)
149
+ - Antonia Mey (antonia.mey@ed.ac.uk)