Machine Learning for Organic Cage Property Prediction

DOI: 10.14469/hpc/4618 Metadata

Created: 2018-08-15 01:25

Last modified: 2019-02-05 16:48

Author: Lukas Turcani

All cages for the paper "Machine Learning for Organic Cage Property Prediction". Use the stk library to open the population files.


cages.tar.gz 848MB application/gzip stk population files of the cages
cage_prediction.db 260MB application/octet-stream A SQL database holding the cage properties.