Comments (1)
bbucior
commented on July 17, 2024
As part of this feature branch, I will also update the MOFid metadata stored in the SMILES "title" field to reflect the new format presented in group meeting, which will improve readability and parsing. This branch should also differentiate between MOFid and MOFkey--thus it should probably be implemented after addressing #6
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Related Issues (16)
- Update Open Babel
- Clean up stderr HOT 2
- pip install can be slow HOT 1
- Rename NoSBU algorithm
- Remove set_paths.py requirement
- Rare AssertionError in Python interface
- Add a verbosity flag to Python interface
- 'Unknown' and 'NA' topologies on CoRE MOF dataset HOT 1
- Complete MOFid with extraneous error flag HOT 2
- Cleaning up folders HOT 3
- Issue running `pip install .` for mofid in Google Colab HOT 3
- Inconsistent output between local mofid and webmofid HOT 1
- moffles --> mofid HOT 1
- Document the round-tripping errors
- Inconsistent aromaticity of N-heterocycles
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