Update README.md
Browse files
README.md
CHANGED
|
@@ -1,3 +1,14 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
# PACT-Net (NeurIPS 2025)
|
| 2 |
|
| 3 |
```python
|
|
@@ -12,4 +23,4 @@ python main.py --model polyatomic --rep polyatomic --dataset esol
|
|
| 12 |
year = {2025},
|
| 13 |
note = {Poster presentation}
|
| 14 |
}
|
| 15 |
-
```
|
|
|
|
| 1 |
+
---
|
| 2 |
+
license: mit
|
| 3 |
+
datasets:
|
| 4 |
+
- scikit-fingerprints/MoleculeNet_ESOL
|
| 5 |
+
- scikit-fingerprints/MoleculeNet_FreeSolv
|
| 6 |
+
- scikit-fingerprints/MoleculeNet_Lipophilicity
|
| 7 |
+
- ibm-research/otter_uniprot_bindingdb_chembl
|
| 8 |
+
language:
|
| 9 |
+
- en
|
| 10 |
+
pipeline_tag: graph-ml
|
| 11 |
+
---
|
| 12 |
# PACT-Net (NeurIPS 2025)
|
| 13 |
|
| 14 |
```python
|
|
|
|
| 23 |
year = {2025},
|
| 24 |
note = {Poster presentation}
|
| 25 |
}
|
| 26 |
+
```
|