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@@ -268,43 +268,46 @@ Largest cluster size: 15
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  ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/cWmq905lpkU_iA38nqXZL.png)
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  ### On contextual generated examples:
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- using `model_context_eval.ipynb`:
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  **Generated 50 examples from input as context:**
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  ```
 
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  Total generated: 200
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  Overall validity rate: 100.00%
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  Input: O=C(C[C@@H]1N([C@@H](CCC1)C[C@@H](C2=CC=CC=C2)O)C)C3=CC=CC=C3
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  Validity: 100.00%
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- Avg Similarity: 0.626
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  Lipinski Pass Rate: 38.00%
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  Input: O=C2N(C)[C@H](c1cnccc1)CC2
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  Validity: 100.00%
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- Avg Similarity: 0.418
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- Lipinski Pass Rate: 94.00%
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  Input: O=C1/C=C\C=C2/N1C[C@@H]3CNC[C@H]2C3
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  Validity: 100.00%
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- Avg Similarity: 0.598
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  Lipinski Pass Rate: 98.00%
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  Input: n1c2cc3c(cc2ncc1)[C@@H]4CNC[C@H]3C4
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  Validity: 100.00%
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- Avg Similarity: 0.475
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- Lipinski Pass Rate: 96.00%
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  ```
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  Example outputs:
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- ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/AD_QOejpE1E1PVW2OccEo.png)
 
 
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- ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/vHQXPgngi0cCl9DbxYtLA.png)
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  **t-SNE:**
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- ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/RBoGVW4XGS_s1HcuMqXtX.png)
 
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  ## ❤️ Support the Project
 
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  ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/cWmq905lpkU_iA38nqXZL.png)
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  ### On contextual generated examples:
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+ using `model_context_eval.ipynb` as 4 nAChR-a4b2 partial agonists as inputs:
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  **Generated 50 examples from input as context:**
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  ```
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+ === Summary ===
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  Total generated: 200
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  Overall validity rate: 100.00%
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  Input: O=C(C[C@@H]1N([C@@H](CCC1)C[C@@H](C2=CC=CC=C2)O)C)C3=CC=CC=C3
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  Validity: 100.00%
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+ Avg Similarity: 0.620
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  Lipinski Pass Rate: 38.00%
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  Input: O=C2N(C)[C@H](c1cnccc1)CC2
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  Validity: 100.00%
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+ Avg Similarity: 0.399
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+ Lipinski Pass Rate: 84.00%
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  Input: O=C1/C=C\C=C2/N1C[C@@H]3CNC[C@H]2C3
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  Validity: 100.00%
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+ Avg Similarity: 0.613
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  Lipinski Pass Rate: 98.00%
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  Input: n1c2cc3c(cc2ncc1)[C@@H]4CNC[C@H]3C4
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  Validity: 100.00%
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+ Avg Similarity: 0.501
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+ Lipinski Pass Rate: 100.00%
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  ```
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  Example outputs:
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+ ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/XXn-UqBoH4YWsQLsZ5k6H.png)
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+
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+ ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/O5t69ooYnp1RXpCT89ja9.png)
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  **t-SNE:**
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+
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+ ![image](https://cdn-uploads.huggingface.co/production/uploads/667da868d653c0b02d6a2399/rB2PTTZ9VczhWv_jU7cxF.png)
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  ## ❤️ Support the Project