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add data for eval
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- src/for_experiments_prediction/.DS_Store +0 -0
- src/for_experiments_prediction/Readme.md +36 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/base/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/base/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/base/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/full/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/full/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/full/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-base/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-base/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-base/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-full/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-full/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-full/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-synthesis/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-synthesis/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/multi-synthesis/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/synthesis/.DS_Store +0 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/synthesis/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/SAC_prediction_pretrained_model/synthesis/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/no-lora/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/base/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/base/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/no-lora/base/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/no-lora/full/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/full/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/no-lora/full/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/no-lora/multi-base/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/multi-base/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/no-lora/multi-base/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/no-lora/multi-full/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/multi-full/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/no-lora/multi-full/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/no-lora/multi-synthesis/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/multi-synthesis/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/no-lora/multi-synthesis/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/no-lora/synthesis/.DS_Store +0 -0
- src/for_experiments_prediction/no-lora/synthesis/evaluation_table.parquet +3 -0
- src/for_experiments_prediction/no-lora/synthesis/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/v3.1.0/.DS_Store +0 -0
- src/for_experiments_prediction/v3.1.0/base/.DS_Store +0 -0
- src/for_experiments_prediction/v3.1.0/base/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/v3.1.0/full/.DS_Store +0 -0
- src/for_experiments_prediction/v3.1.0/full/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/v3.1.0/multi-base/.DS_Store +0 -0
- src/for_experiments_prediction/v3.1.0/multi-base/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/v3.1.0/multi-full/.DS_Store +0 -0
- src/for_experiments_prediction/v3.1.0/multi-full/predicted_vs_gt.json +0 -0
- src/for_experiments_prediction/v3.1.0/multi-synthesis/.DS_Store +0 -0
src/for_experiments_prediction/.DS_Store
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src/for_experiments_prediction/Readme.md
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# Predictions for the procedures to be reproduced in the lab
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The prediction set consist of the combination of the following atoms, support materials and synthesis methods:
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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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The final dataset consist of 150 inputs that our model takes to generate the SAC procedures.
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The folder contains 2 subfolder:
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- `for-experiments`
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- `for-experiments-no-lora`
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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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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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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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## Human Evaluation Streamlit App
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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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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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Feedback from evaluations will be appended to `feedback.csv` in the project root directory.
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