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A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.

copied from cf-staging / qcengine
Type Size Name Uploaded Downloads Labels
conda 237.0 kB | noarch/qcengine-0.31.0-pyhd8ed1ab_0.conda  2 months and 16 days ago 15177 main
conda 235.2 kB | noarch/qcengine-0.30.0-pyhd8ed1ab_0.conda  9 months and 8 days ago 31957 main
conda 231.7 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_1.conda  9 months and 12 days ago 2624 main
conda 231.1 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda  1 year and 5 months ago 31877 main
conda 230.4 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda  1 year and 5 months ago 2230 main
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  1 year and 7 months ago 9571 main
conda 230.9 kB | noarch/qcengine-0.28.0-pyhd8ed1ab_0.conda  1 year and 7 months ago 1454 main
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  1 year and 8 months ago 7127 main
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  2 years and 4 months ago 39510 main
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  2 years and 4 months ago 4931 main
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  2 years and 7 months ago 19489 main
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  2 years and 8 months ago 6203 main
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  3 years and 18 days ago 17848 main
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  3 years and 2 months ago 6153 main
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  3 years and 4 months ago 5702 main
conda 193.7 kB | noarch/qcengine-0.20.1-pyhd8ed1ab_0.tar.bz2  3 years and 5 months ago 6535 main
conda 192.9 kB | noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2  3 years and 6 months ago 2587 main
conda 159.3 kB | noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2  3 years and 10 months ago 14844 main
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  4 years and 1 month ago 11186 main
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  4 years and 5 months ago 15100 main
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  4 years and 7 months ago 5985 main
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  4 years and 9 months ago 5415 main
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  5 years and 1 month ago 7978 main cf202003
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  5 years and 3 months ago 4139 main cf202003
conda 92.8 kB | noarch/qcengine-0.12.0-py_0.tar.bz2  5 years and 4 months ago 3916 main cf202003
conda 81.5 kB | noarch/qcengine-0.11.0-py_0.tar.bz2  5 years and 6 months ago 4447 main cf202003
conda 77.0 kB | noarch/qcengine-0.10.0-py_0.tar.bz2  5 years and 7 months ago 4422 main cf202003
conda 72.5 kB | noarch/qcengine-0.9.0-py_0.tar.bz2  5 years and 7 months ago 4230 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.2-py_0.tar.bz2  5 years and 8 months ago 4564 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.1-py_0.tar.bz2  5 years and 8 months ago 3992 main cf202003
conda 70.9 kB | noarch/qcengine-0.8.0-py_0.tar.bz2  5 years and 8 months ago 3949 main cf202003
conda 63.4 kB | noarch/qcengine-0.7.1-py_0.tar.bz2  5 years and 9 months ago 4799 main cf202003
conda 55.4 kB | noarch/qcengine-0.7.0-py_0.tar.bz2  5 years and 9 months ago 3904 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.4-py_0.tar.bz2  6 years and 12 days ago 6300 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.3-py_0.tar.bz2  6 years and 17 days ago 4297 main cf202003
conda 39.5 kB | noarch/qcengine-0.6.2-py_0.tar.bz2  6 years and 26 days ago 4458 main cf202003
conda 38.2 kB | noarch/qcengine-0.6.1-py_0.tar.bz2  6 years and 1 month ago 4471 main cf202003
conda 38.1 kB | noarch/qcengine-0.6.0-py_0.tar.bz2  6 years and 1 month ago 4267 main cf202003
conda 18.9 kB | noarch/qcengine-0.5.2-py_0.tar.bz2  6 years and 1 month ago 4368 main cf202003
conda 18.2 kB | noarch/qcengine-0.5.1-py_1.tar.bz2  6 years and 2 months ago 5179 main cf202003
conda 16.7 kB | noarch/qcengine-0.5.1-py_0.tar.bz2  6 years and 2 months ago 4270 main cf202003
conda 16.6 kB | noarch/qcengine-0.5.0-py_0.tar.bz2  6 years and 2 months ago 4316 main cf202003
conda 13.9 kB | noarch/qcengine-0.4.0-py_0.tar.bz2  6 years and 4 months ago 4774 main cf202003 cf201901
conda 12.6 kB | noarch/qcengine-0.3.0-py_0.tar.bz2  6 years and 6 months ago 4810 main cf202003 gcc7 cf201901

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