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…dataset model to use float for timestep and delta; add simulation_time field.
…alidation logging, and update function signatures for clarity.
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Can you please rename |
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Can you please also make |
…ame output files and models.
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Hi @pierrepo, could you please review? Thanks! |
…lidation logging, and rename functions for clarity.
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Hi @pierrepo, I’ve finished. If it looks good to you, we can merge. Thanks! |
pierrepo
reviewed
Jan 8, 2026
scripts/scrap_gpcrmd.py
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| 3. Save both the validated and unvalidated dataset datasets to | ||
| "data/gpcrmd/gpcrmd_datasets.parquet" and | ||
| "data/gpcrmd/not_validated_gpcrmd_datasets.parquet" | ||
| 4. Save file metadata similarly for validated and unvalidated files. | ||
| """ |
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Please don't store not validated files or datasets into separate parquet files. Print in logs what was wrong with these files and datasets
pierrepo
reviewed
Jan 8, 2026
scripts/scrap_gpcrmd.py
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| timeout : int, optional | ||
| Timeout in seconds for the HTTP request (default is 10). |
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wait ! |
pierrepo
approved these changes
Jan 9, 2026
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Introduce new script for scraping GPCRMD datasets and files. Enhance dataset model to use float for timestep and delta; add simulation_time field.