2021.09.09 - Inchi

Inchi support has been added

2021.05.06

• minor packaging related changes

2021.04.12.1

• support for CSV files as a file property type
• support for the 'tags' concept for units

2021.03.15.2

• bugfix - generate_dft_unit_functionals() running at import time caused problems with file permissions
• git LFS files weren't being properly inserted into the published packages

2021.03.15.1

• no-op release to maintain version parity with the javascript variant

2021.03.15

• file metadata schema support
• object storage container source for IO data
• add nwchem 7.0.2 specification
• support for new machine learning workflows

2020.12.14.rc1

• implemented a boilerplate categorization scheme, covering ab-initio, DFT, and atomistic models
• adjusted Model implementation accordingly with multiple tiers of classification
• DFT functionals list with DOI added
• basic examples included

2020.10.19.3

• Allow PyYAML 5.x versions

2020.10.19.2

• Keep package versions in sync with the release

2020.10.19.1

• Repairs the empty python package publishing situation