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-0.33.0-pyhd8ed1ab_0.conda | conda | 0.33.0 | noarch | main | Jul 31, 2025, 10:47 PM | 239.09 KB | 27.2K | |
noarch/qcengine-0.32.0-pyhd8ed1ab_0.conda | conda | 0.32.0 | noarch | main | May 3, 2025, 07:13 PM | 238.47 KB | 17.9K | |
noarch/qcengine-0.31.0-pyhd8ed1ab_0.conda | conda | 0.31.0 | noarch | main | Jan 17, 2025, 06:58 PM | 236.99 KB | 26.6K | |
noarch/qcengine-0.30.0-pyhd8ed1ab_0.conda | conda | 0.30.0 | noarch | main | Jun 25, 2024, 09:37 PM | 235.25 KB | 33.1K | |
noarch/qcengine-0.29.0-pyhd8ed1ab_1.conda | conda | 0.29.0 | noarch | main | Jun 21, 2024, 09:59 PM | 231.72 KB | 3.1K | |
noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda | conda | 0.29.0 | noarch | main | Oct 31, 2023, 07:40 PM | 231.09 KB | 32.4K | |
noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda | conda | 0.28.1 | noarch | main | Oct 24, 2023, 09:47 PM | 230.37 KB | 2.8K | |
noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda | conda | 0.28.1 | noarch | main | Aug 18, 2023, 09:50 PM | 231 KB | 10.1K | |
noarch/qcengine-0.28.0-pyhd8ed1ab_0.conda | conda | 0.28.0 | noarch | main | Aug 15, 2023, 08:12 PM | 230.92 KB | 1.9K | |
noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda | conda | 0.27.0 | noarch | main | Aug 2, 2023, 04:30 PM | 228.8 KB | 7.6K | |
noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda | conda | 0.26.0 | noarch | main | Nov 30, 2022, 05:55 PM | 224.63 KB | 40.1K | |
noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.25.0 | noarch | main | Nov 12, 2022, 04:14 AM | 227.54 KB | 5.4K | |
noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2 | conda | 0.24.1 | noarch | main | Aug 16, 2022, 10:09 PM | 216.83 KB | 20.0K | |
noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.24.0 | noarch | main | Jul 8, 2022, 08:40 PM | 204.29 KB | 6.7K | |
noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.23.0 | noarch | main | Mar 15, 2022, 03:16 PM | 194.64 KB | 18.3K | |
noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.22.0 | noarch | main | Jan 26, 2022, 07:01 PM | 194.47 KB | 6.6K | |
noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.21.0 | noarch | main | Nov 22, 2021, 06:20 PM | 195.79 KB | 6.2K | |
noarch/qcengine-0.20.1-pyhd8ed1ab_0.tar.bz2 | conda | 0.20.1 | noarch | main | Oct 8, 2021, 10:02 PM | 193.73 KB | 7.0K | |
noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.20.0 | noarch | main | Oct 2, 2021, 02:36 PM | 192.94 KB | 3.1K | |
noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.19.0 | noarch | main | May 17, 2021, 01:26 PM | 159.29 KB | 15.3K | |
noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2 | conda | 0.18.0 | noarch | main | Feb 17, 2021, 01:28 AM | 149.51 KB | 11.7K | |
noarch/qcengine-0.17.0-py_0.tar.bz2 | conda | 0.17.0 | noarch | main | Oct 3, 2020, 03:45 AM | 141.19 KB | 15.6K | |
noarch/qcengine-0.16.0-py_0.tar.bz2 | conda | 0.16.0 | noarch | main | Aug 20, 2020, 01:50 AM | 139.65 KB | 6.5K | |
noarch/qcengine-0.15.0-py_0.tar.bz2 | conda | 0.15.0 | noarch | main | Jun 27, 2020, 02:35 AM | 134.19 KB | 5.9K | |
noarch/qcengine-0.14.0-py_0.tar.bz2 | conda | 0.14.0 | noarch | maincf202003 | Feb 5, 2020, 11:48 PM | 107 KB | 8.5K |