1.4.0 (2023-09-07) Features added file upload option to ocsr routes (fixes #328) (5098744) added file upload option to ocsr routes (fixes #328) (#365) (66e5e5e) exract properties #320 (31ce43c) include OpenAPI schemas to fix #339 and #343 (29bcf26) Bug Fixes convert/smiles gives 200 response for invalid input - resolves #372 (eea7510) Custom domain update - removing base path from the vitepress config (1d69669) Custom domain update - removing base path from the vitepress config (#350) (bc2a8d3) include docstrings for exception_handlers (a78c575) linting issue fix (2577b3d) make code blocks more pythonic #335 (d7861dc) mypy issues and pep8 (2215b0a) removed unused imports, OCSR modules uncommented (10c61f8) renamed modules to align with p...
Common/General Rename 'master' branch to 'main' See https://github.com/github/renaming for details ...
Fix handling of mmcif with empty label_* fields Improve saccharide detection (compare against list f...
Features Add support for experiment setting codes (05269e1) Add support for multifile old files rea...
0.10.0 (2023-06-13) Features Add converter tests #173 (c9b0d57) add depict router #194 and #199 (1f...
1.3.0 (2023-08-07) Features add FastAPI documentation depict and OCSR (d59389e) add FastAPI docu...
chromConverter 0.4.0 New features Added parser for ANDI chrom cdf files through the read_cdf functi...
0.23.0 (2023-08-05) Add Matches and BatchMatches simple API (1b40f13) Add node offsets in a seriali...
Version 1.5.0.rc0 (2020-05-02) We closed a total of 100 issues (enhancements and bug fixes) through ...
This is a new major iteration of the Chemfiles interface, bringing a lot of interesting changes! Li...
What's Changed Update documentation (#328 and #313) @MarionCoutarel Add max_energy_range_uj to deal...
Commits f3d495f: Updated the options in the README (Raphaël Robidas) 413d335: Initial Q-Chem input ...
Common/General Rename 'master' branch to 'main' See https://github.com/github/renaming for details ...
Fix handling of mmcif with empty label_* fields Improve saccharide detection (compare against list f...
Features Add support for experiment setting codes (05269e1) Add support for multifile old files rea...
0.10.0 (2023-06-13) Features Add converter tests #173 (c9b0d57) add depict router #194 and #199 (1f...
1.3.0 (2023-08-07) Features add FastAPI documentation depict and OCSR (d59389e) add FastAPI docu...
chromConverter 0.4.0 New features Added parser for ANDI chrom cdf files through the read_cdf functi...
0.23.0 (2023-08-05) Add Matches and BatchMatches simple API (1b40f13) Add node offsets in a seriali...
Version 1.5.0.rc0 (2020-05-02) We closed a total of 100 issues (enhancements and bug fixes) through ...
This is a new major iteration of the Chemfiles interface, bringing a lot of interesting changes! Li...
What's Changed Update documentation (#328 and #313) @MarionCoutarel Add max_energy_range_uj to deal...
Commits f3d495f: Updated the options in the README (Raphaël Robidas) 413d335: Initial Q-Chem input ...
Common/General Rename 'master' branch to 'main' See https://github.com/github/renaming for details ...
Fix handling of mmcif with empty label_* fields Improve saccharide detection (compare against list f...
Features Add support for experiment setting codes (05269e1) Add support for multifile old files rea...