Comments (1)
Done
https://zenodo.org/records/10050984
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Related Issues (20)
- Create draft of all documentation
- Move builder from openFF-integrated into openFF HOT 2
- Implement a "Flaws" tracker
- Start notebooks section of integrated openFF
- Generate tests for developmental unit testing; use pytest HOT 2
- CAS/Ing table reanalyze
- Check new bulk download for unknown fields
- Refactoring to integrated repo
- Transform "state_latlon.csv" to parquet; make it available on storage HOT 1
- Remove "volatile" list - not appropriate to the fracking situation HOT 2
- Incorporate the ChemInformatics data into the build process HOT 1
- Add credit for all images in notebooks
- Add dictionary of external data sources to facilitate easy updating and centralized record keeping HOT 1
- Add section to openFF that handles and documents the external data preparation
- Add license HOT 1
- Develop protocol to test notebooks on colab before major commits
- To update Disclosure index and reports
- Rework code to align with FracFocus format changes and inclusion of water source
- Detecting and flagging erroneous duplicate records
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