2024.01 Release Notes

Major Features and Improvements

• Template Relevance with reaxys-biocatalysis works even with more number of target molecules.
• Improved error handling across the frontend with human readable validation errors.
• Buyables lookup now returns Similarity too for the searched SMILES

Bug Fixes

• Quick Settings for tree_search drop-down menu is fixed.
• Fixed load time for large molecule structure by default disabling "Align node images to target" IPP setting. Thanks @mefortunato for this fix!
• Filtering results by atom selection in node info window works as intended now.
• Added usage tips for Strategy Settings in RetroSynthesis page

Getting Started

Please head over to ASKCOS introduction wiki page to understand more about how to get it up and running

For users who came from ASKCOSv1 and want to migrate your data (e.g., saved results) into V2, please refer to [Data Migration from V1 to V2](04-Data Migration from V1 to V2).

ASKCOS Development

Software package for the prediction of feasible synthetic routes towards a desired compound and associated tasks related to synthesis planning. Originally developed under the DARPA Make-It program and now being developed under the MLPDS Consortium.