Update README.md
Browse files
README.md
CHANGED
|
@@ -41,7 +41,7 @@ This model can be used for the prediction of molecules' properties, reactions, o
|
|
| 41 |
|
| 42 |
## Training and evaluation data
|
| 43 |
|
| 44 |
-
|
| 45 |
|
| 46 |
## Training procedure
|
| 47 |
|
|
|
|
| 41 |
|
| 42 |
## Training and evaluation data
|
| 43 |
|
| 44 |
+
We downloaded [ZINC data](https://drive.google.com/drive/folders/1lSPCqh31zxTVEhuiPde7W3rZG8kPgp-z) and canonicalized them using RDKit. Then, we droped duplicates. The total number of data is 22992522, and they were randomly split into train:validation=10:1.
|
| 45 |
|
| 46 |
## Training procedure
|
| 47 |
|