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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 18 days ago 15666 main
conda 235.2 kB | noarch/qcengine-0.30.0-pyhd8ed1ab_0.conda  9 months and 10 days ago 31972 main
conda 231.7 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_1.conda  9 months and 14 days ago 2629 main
conda 231.1 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda  1 year and 5 months ago 31879 main
conda 230.4 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda  1 year and 5 months ago 2232 main
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  1 year and 7 months ago 9577 main
conda 230.9 kB | noarch/qcengine-0.28.0-pyhd8ed1ab_0.conda  1 year and 7 months ago 1459 main
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  1 year and 8 months ago 7130 main
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  2 years and 4 months ago 39514 main
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  2 years and 4 months ago 4935 main
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  2 years and 7 months ago 19495 main
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  2 years and 8 months ago 6207 main
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  3 years and 21 days ago 17855 main
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  3 years and 2 months ago 6158 main
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  3 years and 4 months ago 5706 main
conda 193.7 kB | noarch/qcengine-0.20.1-pyhd8ed1ab_0.tar.bz2  3 years and 5 months ago 6541 main
conda 192.9 kB | noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2  3 years and 6 months ago 2592 main
conda 159.3 kB | noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2  3 years and 10 months ago 14851 main
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  4 years and 1 month ago 11192 main
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  4 years and 6 months ago 15105 main
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  4 years and 7 months ago 5988 main
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  4 years and 9 months ago 5421 main
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  5 years and 1 month ago 7984 main cf202003
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  5 years and 3 months ago 4145 main cf202003
conda 92.8 kB | noarch/qcengine-0.12.0-py_0.tar.bz2  5 years and 4 months ago 3923 main cf202003
conda 81.5 kB | noarch/qcengine-0.11.0-py_0.tar.bz2  5 years and 6 months ago 4453 main cf202003
conda 77.0 kB | noarch/qcengine-0.10.0-py_0.tar.bz2  5 years and 7 months ago 4425 main cf202003
conda 72.5 kB | noarch/qcengine-0.9.0-py_0.tar.bz2  5 years and 7 months ago 4235 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.2-py_0.tar.bz2  5 years and 8 months ago 4568 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.1-py_0.tar.bz2  5 years and 8 months ago 3996 main cf202003
conda 70.9 kB | noarch/qcengine-0.8.0-py_0.tar.bz2  5 years and 8 months ago 3955 main cf202003
conda 63.4 kB | noarch/qcengine-0.7.1-py_0.tar.bz2  5 years and 9 months ago 4803 main cf202003
conda 55.4 kB | noarch/qcengine-0.7.0-py_0.tar.bz2  5 years and 9 months ago 3909 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.4-py_0.tar.bz2  6 years and 14 days ago 6304 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.3-py_0.tar.bz2  6 years and 19 days ago 4301 main cf202003
conda 39.5 kB | noarch/qcengine-0.6.2-py_0.tar.bz2  6 years and 28 days ago 4464 main cf202003
conda 38.2 kB | noarch/qcengine-0.6.1-py_0.tar.bz2  6 years and 1 month ago 4476 main cf202003
conda 38.1 kB | noarch/qcengine-0.6.0-py_0.tar.bz2  6 years and 1 month ago 4272 main cf202003
conda 18.9 kB | noarch/qcengine-0.5.2-py_0.tar.bz2  6 years and 1 month ago 4373 main cf202003
conda 18.2 kB | noarch/qcengine-0.5.1-py_1.tar.bz2  6 years and 2 months ago 5183 main cf202003
conda 16.7 kB | noarch/qcengine-0.5.1-py_0.tar.bz2  6 years and 2 months ago 4275 main cf202003
conda 16.6 kB | noarch/qcengine-0.5.0-py_0.tar.bz2  6 years and 2 months ago 4319 main cf202003
conda 13.9 kB | noarch/qcengine-0.4.0-py_0.tar.bz2  6 years and 4 months ago 4779 main cf202003 cf201901
conda 12.6 kB | noarch/qcengine-0.3.0-py_0.tar.bz2  6 years and 7 months ago 4818 main cf202003 gcc7 cf201901

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