v1.3.0 Release

Release Notes - Version 1.3.0

Features and Enhancements

• Improved the speed of the reporting step.
• Modified the "start_gen" parameter in the configuration file to allow interruption or resuming by specifying any previously completed generation number.
• Added automatic stopping if no suitable molecules are found after docking or filtering, with the ability to modify parameters and resume the process.
• Overwrite previous data in the "workdir" directory to avoid report errors when running with existing results.
• Added additional parameters for filtering molecules based on properties and custom substructure filtering files.
• Optimized charge filtering.
• Enhanced protonation optimization.

Contributors

A special thanks to all the contributors who helped make this release possible!

Support and Feedback

If you encounter any issues or have any feedback, please create a new issue on the GitHub repository.

v1.2.0 Release

v1.2

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v1.0.0 Release

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