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1. orca-data-extraction orca-data-extraction Public

   Scripts related to searching for and extracting data from ORCA .out files into Excel spreadsheets, CSV files, etc.

   Python 2

2. orca-data-to-db orca-data-to-db Public

   Scripts for moving data from ORCA (in the form of CSV/JSON files, etc.) into databases.

   Jupyter Notebook

3. pd-c-photochem-ML pd-c-photochem-ML Public

   An exploration of how phosphine ligand properties affect Pd-C photocleavage in T-shaped methylpalladium complexes.

   Jupyter Notebook

4. xyz-manipulation xyz-manipulation Public

   Scripts for translating, reflecting and rotating sets of coordinates in .xyz files.

   Python

5. scrape-mountain-weather-data scrape-mountain-weather-data Public

   Scripts to scrape weather data from mountains around the world.

   Jupyter Notebook

6. mountain-weather-dbt mountain-weather-dbt Public

   For modeling mountain weather data in dbt.