Spaces:

AlexSychovUN
/

BindingAffinityPrediction

Sleeping

Alex Sychov commited on Jan 31

Commit

4a03f55

unverified ·

1 Parent(s): ea9db3b

Update README.md

Files changed (1) hide show

README.md CHANGED Viewed

@@ -10,6 +10,7 @@ license: mit
 # 💊 Drug Binding Affinity Prediction with GNNs + CNN + Cross-Attention & LLM Interpretation
 This project is the implementation of the Deep Learning model to predict the **Binding Affinity ($pK_d$)** between drug candidates (ligand) and target proteins. The feature of that system is that it solves the "Black Box" problem in drug discovery field by presenting an **Explainable AI (XAI)** module powered by **Cross-Attention weights** and **LLM interpretation**, which allows researchers to visualize the active site of the ligand and which atoms play a vital role in the binding process.

 # 💊 Drug Binding Affinity Prediction with GNNs + CNN + Cross-Attention & LLM Interpretation
+<img width="1673" height="734" alt="image" src="https://github.com/user-attachments/assets/62cd937a-e5df-4acd-ab1c-1158588d49ea" />
 This project is the implementation of the Deep Learning model to predict the **Binding Affinity ($pK_d$)** between drug candidates (ligand) and target proteins. The feature of that system is that it solves the "Black Box" problem in drug discovery field by presenting an **Explainable AI (XAI)** module powered by **Cross-Attention weights** and **LLM interpretation**, which allows researchers to visualize the active site of the ligand and which atoms play a vital role in the binding process.