Enhancement #2
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Enhancement #2
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Contributor
zhu0619
commented
May 7, 2024
zhu0619
commented
- Logging image with bytes
- Added distribution action
- Added logic when discretization action before distribution
- Refactored stereoactivity cliff detection
- Update the tests accordingly
- Update html report style
cwognum
added a commit
that referenced
this pull request
May 8, 2024
* Basic repo structure * Basic skeleton code * First implementation of all major components: Action, Curator, Report, Broadcaster * Added a functional module and added discretization * Added deduplication * Add stereoisomer AC detection * Ported over test cases * Made a good start on visualizations * Tested with an integrated example - Added it as a tutorial * Basic setup of docs * Add HTML broadcaster * Added chemspace visualization * Added basic, untested CLI implementation * Added visualization to stereoisomers with ACs * Update README * Fix bug * Fix another bug * Enhancement (#2) * dev refactor * fix test * fix tests * remove unused code * refactor repo name * Reviewed @zhu0619's changes. Switched to jinja2 for HTML broadcaster * Fixed bug in LoggerBroadcaster * Fixed release CICD * Fix CICD --------- Co-authored-by: cwognum <[email protected]> --------- Co-authored-by: Lu Zhu <[email protected]>
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