Create README.md
Browse files
README.md
ADDED
@@ -0,0 +1,27 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
---
|
2 |
+
tags:
|
3 |
+
- chemistry
|
4 |
+
---
|
5 |
+
|
6 |
+
## Reaction Graph Data
|
7 |
+
|
8 |
+
Place the contents of this folder under the `datasets` folder.
|
9 |
+
|
10 |
+
Here is an example of the directory structure:
|
11 |
+
|
12 |
+
```
|
13 |
+
Reaction-Graph/
|
14 |
+
├── analysts
|
15 |
+
├── ......
|
16 |
+
├── dataloaders
|
17 |
+
├── datasets/
|
18 |
+
│ ├── hte/
|
19 |
+
│ │ ├── buchwald_hartwig
|
20 |
+
│ │ └── ......
|
21 |
+
│ ├── uspto_condition
|
22 |
+
│ ├── uspto_tpl
|
23 |
+
│ └── uspto_yield
|
24 |
+
├── encoders
|
25 |
+
└── ......
|
26 |
+
|
27 |
+
```
|