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add data for eval

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  1. src/for_experiments_prediction/.DS_Store +0 -0
  2. src/for_experiments_prediction/Readme.md +36 -0
  3. src/for_experiments_prediction/SAC_prediction_pretrained_model/.DS_Store +0 -0
  4. src/for_experiments_prediction/SAC_prediction_pretrained_model/base/.DS_Store +0 -0
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  7. src/for_experiments_prediction/SAC_prediction_pretrained_model/full/.DS_Store +0 -0
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  10. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-base/.DS_Store +0 -0
  11. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-base/evaluation_table.parquet +3 -0
  12. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-base/predicted_vs_gt.json +0 -0
  13. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-full/.DS_Store +0 -0
  14. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-full/evaluation_table.parquet +3 -0
  15. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-full/predicted_vs_gt.json +0 -0
  16. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-synthesis/.DS_Store +0 -0
  17. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-synthesis/evaluation_table.parquet +3 -0
  18. src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-synthesis/predicted_vs_gt.json +0 -0
  19. src/for_experiments_prediction/SAC_prediction_pretrained_model/synthesis/.DS_Store +0 -0
  20. src/for_experiments_prediction/SAC_prediction_pretrained_model/synthesis/evaluation_table.parquet +3 -0
  21. src/for_experiments_prediction/SAC_prediction_pretrained_model/synthesis/predicted_vs_gt.json +0 -0
  22. src/for_experiments_prediction/no-lora/.DS_Store +0 -0
  23. src/for_experiments_prediction/no-lora/base/.DS_Store +0 -0
  24. src/for_experiments_prediction/no-lora/base/evaluation_table.parquet +3 -0
  25. src/for_experiments_prediction/no-lora/base/predicted_vs_gt.json +0 -0
  26. src/for_experiments_prediction/no-lora/full/.DS_Store +0 -0
  27. src/for_experiments_prediction/no-lora/full/evaluation_table.parquet +3 -0
  28. src/for_experiments_prediction/no-lora/full/predicted_vs_gt.json +0 -0
  29. src/for_experiments_prediction/no-lora/multi-base/.DS_Store +0 -0
  30. src/for_experiments_prediction/no-lora/multi-base/evaluation_table.parquet +3 -0
  31. src/for_experiments_prediction/no-lora/multi-base/predicted_vs_gt.json +0 -0
  32. src/for_experiments_prediction/no-lora/multi-full/.DS_Store +0 -0
  33. src/for_experiments_prediction/no-lora/multi-full/evaluation_table.parquet +3 -0
  34. src/for_experiments_prediction/no-lora/multi-full/predicted_vs_gt.json +0 -0
  35. src/for_experiments_prediction/no-lora/multi-synthesis/.DS_Store +0 -0
  36. src/for_experiments_prediction/no-lora/multi-synthesis/evaluation_table.parquet +3 -0
  37. src/for_experiments_prediction/no-lora/multi-synthesis/predicted_vs_gt.json +0 -0
  38. src/for_experiments_prediction/no-lora/synthesis/.DS_Store +0 -0
  39. src/for_experiments_prediction/no-lora/synthesis/evaluation_table.parquet +3 -0
  40. src/for_experiments_prediction/no-lora/synthesis/predicted_vs_gt.json +0 -0
  41. src/for_experiments_prediction/v3.1.0/.DS_Store +0 -0
  42. src/for_experiments_prediction/v3.1.0/base/.DS_Store +0 -0
  43. src/for_experiments_prediction/v3.1.0/base/predicted_vs_gt.json +0 -0
  44. src/for_experiments_prediction/v3.1.0/full/.DS_Store +0 -0
  45. src/for_experiments_prediction/v3.1.0/full/predicted_vs_gt.json +0 -0
  46. src/for_experiments_prediction/v3.1.0/multi-base/.DS_Store +0 -0
  47. src/for_experiments_prediction/v3.1.0/multi-base/predicted_vs_gt.json +0 -0
  48. src/for_experiments_prediction/v3.1.0/multi-full/.DS_Store +0 -0
  49. src/for_experiments_prediction/v3.1.0/multi-full/predicted_vs_gt.json +0 -0
  50. src/for_experiments_prediction/v3.1.0/multi-synthesis/.DS_Store +0 -0
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+ # Predictions for the procedures to be reproduced in the lab
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+
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+
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+ The prediction set consist of the combination of the following atoms, support materials and synthesis methods:
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+
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+ - atoms = ["Pt", "Pd", "Fe", "Co", "Ni", "Cu", "Rh", "Ru", "Mn", "Ir"]
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+ - support_materials = ["Nitrogen-doped carbon", "Graphene", "Carbon nitride", "CeO2", "TiO2"]
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+ - synthesis_methods = ["Hybrid high temperature solution phase", "Solution Phase", "Electrochemical"]
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+
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+ The final dataset consist of 150 inputs that our model takes to generate the SAC procedures.
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+
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+ The folder contains 2 subfolder:
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+
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+ - `for-experiments`
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+ - `for-experiments-no-lora`
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+
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+ the 2 folders cotains the results for the previous introduced dataset. In the `for-experiments` prediction we use the model is the model previously introduced as just 3.1.2, while `for-experiments-no-lora` use the no-lora models.
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+
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+ In each subfolder you will find `base`, `multi-base`, `synthesis` and `multi-synthesis`. The `base` and `multi-base` predictions use only atom and support material as input, while `synthesis` and `multi-synthesis` use all the 3 input features. With `multi` we denote the model that was trained multitask, i.e. that it was trained with all different inputs composition.
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+
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+ Of course the `base` and `multi-base` are only 50 predictions, since we remove the synthesis method as constraint. I left the same id of the others though, so it is easy to compare.
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+
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+ ## Human Evaluation Streamlit App
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+
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+ A Streamlit-based interface is provided to enable side-by-side comparison of model outputs and collect human preferences.
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+
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+ 1. Install Streamlit if not already installed:
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+ ```bash
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+ pip install streamlit
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+ ```
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+ 2. Run the app from the project root:
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+ ```bash
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+ streamlit run app.py
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+ ```
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+
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+ Feedback from evaluations will be appended to `feedback.csv` in the project root directory.
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