Commit
·
bd84a5b
1
Parent(s):
5cf4ec9
Update README: Added pygeometric use
Browse files
README.md
CHANGED
@@ -9,6 +9,8 @@ license: mit
|
|
9 |
- [Dataset Description](#dataset-description)
|
10 |
- [Dataset Summary](#dataset-summary)
|
11 |
- [Supported Tasks and Leaderboards](#supported-tasks-and-leaderboards)
|
|
|
|
|
12 |
- [Dataset Structure](#dataset-structure)
|
13 |
- [Data Properties](#data-properties)
|
14 |
- [Data Fields](#data-fields)
|
@@ -34,6 +36,24 @@ The `ogbg-molhiv` dataset is a small molecular property prediction dataset, adap
|
|
34 |
`ogbg-molhiv` should be used for molecular property prediction (aiming to predict whether molecules inhibit HIV or not), a binary classification task.
|
35 |
The associated leaderboards are here: [OGB leaderboard](https://ogb.stanford.edu/docs/leader_graphprop/#ogbg-molhiv) and [Papers with code leaderboard](https://paperswithcode.com/sota/graph-property-prediction-on-ogbg-molhiv).
|
36 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
37 |
## Dataset Structure
|
38 |
|
39 |
### Data Properties
|
|
|
9 |
- [Dataset Description](#dataset-description)
|
10 |
- [Dataset Summary](#dataset-summary)
|
11 |
- [Supported Tasks and Leaderboards](#supported-tasks-and-leaderboards)
|
12 |
+
- [External Use](#external-use)
|
13 |
+
- [PyGeometric](#pygeometric)
|
14 |
- [Dataset Structure](#dataset-structure)
|
15 |
- [Data Properties](#data-properties)
|
16 |
- [Data Fields](#data-fields)
|
|
|
36 |
`ogbg-molhiv` should be used for molecular property prediction (aiming to predict whether molecules inhibit HIV or not), a binary classification task.
|
37 |
The associated leaderboards are here: [OGB leaderboard](https://ogb.stanford.edu/docs/leader_graphprop/#ogbg-molhiv) and [Papers with code leaderboard](https://paperswithcode.com/sota/graph-property-prediction-on-ogbg-molhiv).
|
38 |
|
39 |
+
## External Use
|
40 |
+
### PyGeometric
|
41 |
+
To load in PyGeometric, do the following:
|
42 |
+
|
43 |
+
```python
|
44 |
+
from datasets import load_dataset
|
45 |
+
|
46 |
+
from torch_geometric.data import Data
|
47 |
+
from torch_geometric.loader import DataLoader
|
48 |
+
|
49 |
+
ogbg_molhiv = load_dataset("graphs-datasets/ogbg-molhiv")
|
50 |
+
# For the train set (replace by valid or test as needed)
|
51 |
+
ogbg_molhiv_pg_list = [Data(graph) for graph in ogbg_molhiv["train"]]
|
52 |
+
ogbg_molhiv_pg = DataLoader(ogbg_molhiv_pg_list)
|
53 |
+
|
54 |
+
```
|
55 |
+
|
56 |
+
|
57 |
## Dataset Structure
|
58 |
|
59 |
### Data Properties
|