Releases: Exabyte-io/esse
Releases · Exabyte-io/esse
v2022.1.9-2
Release v2022.1.9-2 created by exabyte-io-bot
2021.11.26
- Add features supporting nonperiodic systems
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