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from robocrystallographer.
Related Issues (20)
- Is the full robocrystallographer dataset available? HOT 9
- MP-IDs for 114,300 structures used for robocrystallographer
- pymatgen error - maybe v2022 compatibility issue? HOT 5
- New release for latest pymatgen HOT 2
- Description of frac_sites_<NUM>_coordinate in Featurizer module
- Why is there frac_sites_octahedral, but no frac_sites_face_octahedral? etc. HOT 1
- Confusing reporting of fractional oxidation states
- Faceface, edgeedge, cornercorner in description for complex materials
- Bond angle in octahedral
- when using "--symprec 0.0001" , SPGLIB error: TypeError: must be real number, not str HOT 1
- 'describer' throwing errors with --no-makup, --no-mineral and --no-components HOT 1
- Dependabot couldn't authenticate with https://pypi.python.org/simple/
- Issue with self.get_component_makeup_summary() for few materials HOT 4
- robocrys not working with Pymatgen version 2020.10.9 onwards HOT 1
- deprecated collection.Iterable
- can not run with latest pymatgen HOT 1
- Is the text representationv reversable?
- describer.py line 247 en.join(orientations): ValidationError Input should be a valid string HOT 4
- ValueError: Unexpected atomic number Z=119 HOT 2
- Use RoboCrystallographer with the Jarvis-DFT 3D dataset
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from robocrystallographer.