https://github.com/citrineinformatics/cif-file-ingester
Citrination ingester for CIF files
https://github.com/citrineinformatics/cif-file-ingester
Last synced: about 1 year ago
JSON representation
Citrination ingester for CIF files
- Host: GitHub
- URL: https://github.com/citrineinformatics/cif-file-ingester
- Owner: CitrineInformatics
- License: apache-2.0
- Created: 2018-08-27T21:20:47.000Z (almost 8 years ago)
- Default Branch: develop
- Last Pushed: 2018-11-27T00:56:25.000Z (over 7 years ago)
- Last Synced: 2025-01-16T08:23:49.382Z (over 1 year ago)
- Language: Python
- Size: 34.2 KB
- Stars: 1
- Watchers: 37
- Forks: 2
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
# CIF file ingester
## Ingester description
The [CIF file ingester]("https://help.citrination.com/knowledgebase/articles/1200448-citrine-crystallographic-information-file-cif") converts standardized crystallographic information files (.cif) as popularized by the International Union of Crystallography (IUoC).
The CIF File Ingester currently extracts and featurizes a subset of structural properties to automatically featurize.
If there are properties contained in your .cif that you would like featurized upon ingestion, please reach out to us.
## Description of accepted files
.cif files output from DFT calculations, XRD refinements, or any other structure calculations.
## Example file
To see an example file please click [here](https://citrineinformatics.box.com/shared/static/bhevhdse0rzqa9rc4mmqzqli9lkz7hgo.cif).
## Resources
- [CIF file ingester](https://help.citrination.com/knowledgebase/articles/1200448-citrine-crystallographic-information-file-cif)
- PIF schema [documentation](http://citrineinformatics.github.io/pif-documentation/)
- PyPIF [repo](https://github.com/CitrineInformatics/pypif)