Datasets:
Upload dataset
Browse files- DC50/train-00000-of-00001.parquet +3 -0
- README.md +76 -0
DC50/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:e4325d45189df918d39e538be5c848eb91b12840c033d1ed62f91212c7ef6011
|
| 3 |
+
size 533304
|
README.md
CHANGED
|
@@ -1,5 +1,77 @@
|
|
| 1 |
---
|
| 2 |
dataset_info:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 3 |
- config_name: Dmax
|
| 4 |
features:
|
| 5 |
- name: SMILES
|
|
@@ -145,6 +217,10 @@ dataset_info:
|
|
| 145 |
download_size: 570337
|
| 146 |
dataset_size: 23446485
|
| 147 |
configs:
|
|
|
|
|
|
|
|
|
|
|
|
|
| 148 |
- config_name: Dmax
|
| 149 |
data_files:
|
| 150 |
- split: train
|
|
|
|
| 1 |
---
|
| 2 |
dataset_info:
|
| 3 |
+
- config_name: DC50
|
| 4 |
+
features:
|
| 5 |
+
- name: SMILES
|
| 6 |
+
dtype: string
|
| 7 |
+
- name: Ligase_Name
|
| 8 |
+
dtype: string
|
| 9 |
+
- name: POI_UniProt
|
| 10 |
+
dtype: string
|
| 11 |
+
- name: POI_Sequence
|
| 12 |
+
dtype: string
|
| 13 |
+
- name: Ligase_UniProt
|
| 14 |
+
dtype: string
|
| 15 |
+
- name: Ligase_Sequence
|
| 16 |
+
dtype: string
|
| 17 |
+
- name: Cell_Line
|
| 18 |
+
dtype: string
|
| 19 |
+
- name: Cell_Line_ID
|
| 20 |
+
dtype: string
|
| 21 |
+
- name: Cell_Line_Species
|
| 22 |
+
dtype: string
|
| 23 |
+
- name: Reference
|
| 24 |
+
dtype: string
|
| 25 |
+
- name: Description
|
| 26 |
+
dtype: string
|
| 27 |
+
- name: Assay
|
| 28 |
+
dtype: string
|
| 29 |
+
- name: Assay_Time
|
| 30 |
+
dtype: float64
|
| 31 |
+
- name: POI_Name
|
| 32 |
+
dtype: string
|
| 33 |
+
- name: Modality
|
| 34 |
+
dtype: string
|
| 35 |
+
- name: Value
|
| 36 |
+
dtype: float64
|
| 37 |
+
- name: Value_Type
|
| 38 |
+
dtype: string
|
| 39 |
+
- name: Value_Unit
|
| 40 |
+
dtype: string
|
| 41 |
+
- name: Value_Operator
|
| 42 |
+
dtype: string
|
| 43 |
+
- name: Database
|
| 44 |
+
dtype: string
|
| 45 |
+
- name: TPD_ID
|
| 46 |
+
dtype: string
|
| 47 |
+
- name: Value_Category
|
| 48 |
+
dtype: string
|
| 49 |
+
- name: Value_Range_Min
|
| 50 |
+
dtype: float64
|
| 51 |
+
- name: Value_Range_Max
|
| 52 |
+
dtype: float64
|
| 53 |
+
- name: Value_Error
|
| 54 |
+
dtype: float64
|
| 55 |
+
- name: Value_Concentration
|
| 56 |
+
dtype: float64
|
| 57 |
+
- name: Value_Concentration_Unit
|
| 58 |
+
dtype: 'null'
|
| 59 |
+
- name: Value_Mean
|
| 60 |
+
dtype: float64
|
| 61 |
+
- name: POI_Cluster
|
| 62 |
+
dtype: int64
|
| 63 |
+
- name: SMILES_Held_Out
|
| 64 |
+
dtype: bool
|
| 65 |
+
- name: SMILES_Scaffold_Cluster
|
| 66 |
+
dtype: int64
|
| 67 |
+
- name: SMILES_Butina_Cluster
|
| 68 |
+
dtype: int64
|
| 69 |
+
splits:
|
| 70 |
+
- name: train
|
| 71 |
+
num_bytes: 15569093
|
| 72 |
+
num_examples: 5070
|
| 73 |
+
download_size: 533304
|
| 74 |
+
dataset_size: 15569093
|
| 75 |
- config_name: Dmax
|
| 76 |
features:
|
| 77 |
- name: SMILES
|
|
|
|
| 217 |
download_size: 570337
|
| 218 |
dataset_size: 23446485
|
| 219 |
configs:
|
| 220 |
+
- config_name: DC50
|
| 221 |
+
data_files:
|
| 222 |
+
- split: train
|
| 223 |
+
path: DC50/train-*
|
| 224 |
- config_name: Dmax
|
| 225 |
data_files:
|
| 226 |
- split: train
|