Machine Learning for Organic Cage Property Prediction

DOI: 10.14469/hpc/4618 Metadata

Created: 2018-08-15 01:25

Last modified: 2019-04-17 02:00

Author: Lukas Turcani

License: (none given)

Funding: (none given)

All cages for the paper "Machine Learning for Organic Cage Property Prediction". Use the stk library to open the population files. https://github.com/lukasturcani/stk

Files

FilenameSizeTypeDescription
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.
cages.tar.gz 885MB application/gzip stk population files of the cages. File format updated for stk version 2019.04.17.0

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