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
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
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
| Filename | Size | Type | Description |
|---|---|---|---|
| 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 |