2021.01 Public Release

askcos-data 2021.01

Release notes:

• Update buyables data with sources
• Add solvent EHS score data
• Add retrosynthetic pathway ranking model
• Add pistachio template relevance model and data
• Add QM descriptor model
• Add QM-based universal regioselectivity model
• Add graph model for new reaction condition recommender

2020.07 Public Release

askcos-data 2020.07

Release Notes

• Add new general selectivity model

askcos-data v0.4.1

This is the first release of the new askcos-data repository to accompany the ASKCOS v0.4.1 release.