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README.md
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@@ -64,4 +64,40 @@ The model was trained on a proprietary dataset of text-mined inorganic synthesis
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https://www.nature.com/articles/s41597-019-0224-1
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**Evaluation Results:**
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https://www.nature.com/articles/s41597-019-0224-1
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**Evaluation Results:**
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The models were evaluated on a hold-out test set.
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**1. Tuned Temperature Bin Prediction Model:**
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* **Overall Test Set Accuracy:** 0.6821
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* **Overall Test Set F1 Score (Weighted):** 0.6785
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* **Per-Class Performance (Test Set):**
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```
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precision recall f1-score support
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TempBin_1_(1_to_900] 0.77 0.79 0.78 954
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TempBin_2_(900_to_1100] 0.62 0.53 0.57 743
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TempBin_3_(1100_to_1300] 0.58 0.58 0.58 768
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TempBin_4_(1300_to_3000] 0.72 0.80 0.76 715
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accuracy 0.68 3180
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macro avg 0.67 0.68 0.67 3180
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weighted avg 0.68 0.68 0.68 3180
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```
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**2. Tuned Atmosphere Category Prediction Model:**
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* **Overall Test Set Accuracy:** 0.7193
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* **Overall Test Set F1 Score (Weighted):** 0.7174
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* **Per-Class Performance (Test Set):**
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```
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precision recall f1-score support
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Inert 0.59 0.38 0.46 139
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Other_Atm_Target 1.00 0.44 0.62 9
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Oxidizing 0.67 0.71 0.69 1552
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Reducing 0.70 0.47 0.56 100
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Unknown_Atm_Category 0.76 0.76 0.76 2098
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accuracy 0.72 3898
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macro avg 0.74 0.55 0.62 3898
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weighted avg 0.72 0.72 0.72 3898
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```
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