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@@ -178,15 +178,29 @@ Validation Loss: 1.0448 → Perplexity: exp(1.0448) ≈ 2.84
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  ```
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  ## ⚙️ Generated Molecules Evaluation
 
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  **Overall Stats:**
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  ```text
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- ssss
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ```
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- **PCA of MACCS:**
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- **t-SNE of MACCS:**
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  ## ❤️ Support the Project
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  ```
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  ## ⚙️ Generated Molecules Evaluation
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+ ### On 1K generated examples:
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  **Overall Stats:**
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  ```text
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+ 📊 FINAL EVALUATION SUMMARY
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+ ============================================================
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+ Total generated: 1000
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+ Valid SMILES: 976 (97.6%)
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+ Lipinski-compliant: 687 (70.4% of valid)
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+ Internal diversity: 0.6387
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+ MACCS clusters (≥0.7): 448
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+ Average cluster size: 2.18
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+ Largest cluster size: 15
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+ ============================================================
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+
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+ ✅ Results dictionary created
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+ ✅ Valid SMILES saved to 'generated_valid_2500.smi'
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+
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  ```
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+ **PCA & t-SNE of MACCS:**
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+ ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/cWmq905lpkU_iA38nqXZL.png)
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  ## ❤️ Support the Project
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