This repository contains data and scripts for Wicker's 2015 Will It Crystallize analysis
Published background work
- Original paper: https://pubs.rsc.org/en/content/articlelanding/2015/ce/c4ce01912a#!divAbstract
- Chemistry World article: https://www.chemistryworld.com/research/will-it-crystallise/7971.article
- Education annotated article: https://edu.rsc.org/resources/reading-journal-articles-predicting-crystallinity/1914.article
- Conformation count descriptor: https://pubs.acs.org/doi/10.1021/acs.jcim.6b00565