qcengine
A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.
| Name | Type | Version | Platform | Labels | Updated | Size | Downloads | Actions |
|---|
noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda | conda | 0.29.0 | noarch | devmain | Oct 31, 2023, 07:40 PM | 231.09 KB | 6.4K | |
noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda | conda | 0.28.1 | noarch | devmain | Oct 24, 2023, 09:47 PM | 230.37 KB | 206 | |
noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda | conda | 0.28.1 | noarch | devmain | Aug 18, 2023, 09:50 PM | 231 KB | 963 | |
noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda | conda | 0.27.0 | noarch | devmain | Aug 2, 2023, 04:30 PM | 228.8 KB | 522 | |
noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda | conda | 0.26.0 | noarch | maindev | Nov 30, 2022, 05:55 PM | 224.63 KB | 27.7K | |
noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.25.0 | noarch | maindev | Nov 12, 2022, 04:14 AM | 227.54 KB | 1.2K | |
noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2 | conda | 0.24.1 | noarch | maindev | Aug 16, 2022, 10:09 PM | 216.83 KB | 29.0K | |
noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.24.0 | noarch | maindev | Jul 8, 2022, 08:40 PM | 204.29 KB | 6.5K | |
noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.23.0 | noarch | maindev | Mar 15, 2022, 03:16 PM | 194.64 KB | 18.6K | |
noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.22.0 | noarch | maindev | Jan 26, 2022, 07:01 PM | 194.47 KB | 2.1K | |
noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.21.0 | noarch | maindev | Nov 22, 2021, 06:20 PM | 195.79 KB | 12.5K | |
noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.20.0 | noarch | maindev | Oct 2, 2021, 02:36 PM | 192.94 KB | 6.0K | |
noarch/qcengine-0.19.1-pyh27ad0ae_0.tar.bz2 | conda | 0.19.1 | noarch | qcdb | Sep 13, 2021, 10:57 PM | 192.28 KB | 48 | |
noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.19.0 | noarch | maindev | May 17, 2021, 01:26 PM | 159.29 KB | 14.3K | |
noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.18.0 | noarch | maindev | Feb 17, 2021, 01:28 AM | 149.51 KB | 1.7K | |
noarch/qcengine-0.17.0-py_0.tar.bz2 | conda | 0.17.0 | noarch | maindev | Oct 3, 2020, 03:45 AM | 141.19 KB | 1.7K | |
noarch/qcengine-0.16.0-py_0.tar.bz2 | conda | 0.16.0 | noarch | maindev | Aug 20, 2020, 01:50 AM | 139.65 KB | 800 | |
noarch/qcengine-0.15.0-py_0.tar.bz2 | conda | 0.15.0 | noarch | maindev | Jun 27, 2020, 02:35 AM | 134.19 KB | 1.4K | |
noarch/qcengine-0.14.0-py_0.tar.bz2 | conda | 0.14.0 | noarch | maindev | Feb 5, 2020, 11:48 PM | 107 KB | 2.7K | |
noarch/qcengine-0.13.0-py_0.tar.bz2 | conda | 0.13.0 | noarch | maindev | Dec 11, 2019, 09:11 PM | 102.43 KB | 1.8K | |
noarch/qcengine-0.12.0-py_0.tar.bz2 | conda | 0.12.0 | noarch | maindev | Nov 14, 2019, 07:33 PM | 92.75 KB | 1.6K | |
noarch/qcengine-0.11.0-py_0.tar.bz2 | conda | 0.11.0 | noarch | maindev | Oct 1, 2019, 04:59 PM | 81.47 KB | 1.3K | |
noarch/qcengine-0.10.0-py_0.tar.bz2 | conda | 0.10.0 | noarch | maindev | Aug 26, 2019, 04:00 PM | 77 KB | 715 | |
noarch/qcengine-0.9.0-py_0.tar.bz2 | conda | 0.9.0 | noarch | maindev | Aug 15, 2019, 03:26 AM | 72.49 KB | 288 | |
noarch/qcengine-0.8.2-py_0.tar.bz2 | conda | 0.8.2 | noarch | maindev | Jul 25, 2019, 07:49 PM | 71.21 KB | 275 |