Skip to content

Commit fde77a5

Browse files
authored
Update README.md
1 parent 69322f0 commit fde77a5

File tree

1 file changed

+1
-12
lines changed

1 file changed

+1
-12
lines changed

Diff for: README.md

+1-12
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,4 @@
1-
# **PLAPT: Protein-Ligand Binding Affinity Prediction Using Pretrained Transformer Models**
1+
# **PLAPT: Protein-Ligand Binding Affinity Prediction Using Pretrained Transformers**
22

33
This is the official code repository for PLAPT, a state-of-the-art 1D sequence-only protein-ligand binding affinity predictor, first introduced [here](https://community.wolfram.com/groups/-/m/t/3094670)
44

@@ -145,14 +145,3 @@ We source protein-ligand pairs and their corresponding affinity values from an o
145145

146146
#### Importing Encoders and Running the Notebook
147147
For users to import the encoders and run the Wolfram notebook (`WL Notebooks/FinalEssay.nb`), we provide the `encoders_to_onnx.ipynb` notebook. This ensures that users can replicate our encoding process and utilize the full capabilities of PLAPT.
148-
149-
### Results
150-
151-
PLAPT achieved impressive results, demonstrating both high accuracy and state-of-the-art generalization in protein-ligand binding affinity prediction. Detailed analysis can be found in our paper. Key metrics include:
152-
153-
| Metric | Test Data | Train Data |
154-
| ------ | --------- | ---------- |
155-
| R (Pearson Correlation) | 0.800988 | 0.798657 |
156-
| MSE (Mean Squared Error) | 0.978599 | 0.967477 |
157-
| RMSE (Root Mean Squared Error) | 0.989241 | 0.983604 |
158-
| MAE (Mean Absolute Error) | 0.864218 | 0.861717 |

0 commit comments

Comments
 (0)