Release v0.2.0
This release focused on adding documentation for alchemiscale
, including a user guide, a first tutorial, deployment, compute, and operations guides, a developer guide, and an API reference. It also added efficient methods for getting network-wide results to the AlchemiscaleClient
in #178, and some smaller fixes to the alchemiscale
CLI.
What's Changed
- Fixed version mismatch of alchemiscale in conda environments by @ianmkenney in #165
- Add user guide to docs, restructure some other documentation pages by @dotsdl in #166
- Added compute doc, adding other operations docs (e.g. backups) by @dotsdl in #167
- Support adding and removing multiple scopes from identity with single CLI call by @dotsdl in #172
- Add developer-facing docs by @dotsdl in #175
- Review and refinement of API docs by @dotsdl in #177
- Added
get_network_results
method toAlchemiscaleClient
by @dotsdl in #178 - Add Alchemiscale Demo as first tutorial by @dotsdl in #174
- Updated prod-oriented conda envs to use latest openfe, gufe, and python 3.11 by @dotsdl in #181
New Contributors
- @ianmkenney made their first contribution in #165
Full Changelog: v0.1.4...v0.2.0