Datasets:
Add Antonia Mey email
Browse files
README.md
CHANGED
|
@@ -1,149 +1,149 @@
|
|
| 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 ()
|
|
|
|
| 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)
|