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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 17 days ago 15493 main
conda 235.2 kB | noarch/qcengine-0.30.0-pyhd8ed1ab_0.conda  9 months and 9 days ago 31966 main
conda 231.7 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_1.conda  9 months and 13 days ago 2626 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 2230 main
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  1 year and 7 months ago 9574 main
conda 230.9 kB | noarch/qcengine-0.28.0-pyhd8ed1ab_0.conda  1 year and 7 months ago 1457 main
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  1 year and 8 months ago 7128 main
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  2 years and 4 months ago 39512 main
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  2 years and 4 months ago 4933 main
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  2 years and 7 months ago 19493 main
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  2 years and 8 months ago 6205 main
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  3 years and 20 days ago 17852 main
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  3 years and 2 months ago 6155 main
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  3 years and 4 months ago 5704 main
conda 193.7 kB | noarch/qcengine-0.20.1-pyhd8ed1ab_0.tar.bz2  3 years and 5 months ago 6539 main
conda 192.9 kB | noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2  3 years and 6 months ago 2590 main
conda 159.3 kB | noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2  3 years and 10 months ago 14848 main
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  4 years and 1 month ago 11189 main
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  4 years and 6 months ago 15102 main
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  4 years and 7 months ago 5986 main
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  4 years and 9 months ago 5418 main
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  5 years and 1 month ago 7981 main cf202003
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  5 years and 3 months ago 4143 main cf202003
conda 92.8 kB | noarch/qcengine-0.12.0-py_0.tar.bz2  5 years and 4 months ago 3920 main cf202003
conda 81.5 kB | noarch/qcengine-0.11.0-py_0.tar.bz2  5 years and 6 months ago 4450 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 4233 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.2-py_0.tar.bz2  5 years and 8 months ago 4565 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.1-py_0.tar.bz2  5 years and 8 months ago 3994 main cf202003
conda 70.9 kB | noarch/qcengine-0.8.0-py_0.tar.bz2  5 years and 8 months ago 3952 main cf202003
conda 63.4 kB | noarch/qcengine-0.7.1-py_0.tar.bz2  5 years and 9 months ago 4800 main cf202003
conda 55.4 kB | noarch/qcengine-0.7.0-py_0.tar.bz2  5 years and 9 months ago 3906 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.4-py_0.tar.bz2  6 years and 13 days ago 6302 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.3-py_0.tar.bz2  6 years and 18 days ago 4298 main cf202003
conda 39.5 kB | noarch/qcengine-0.6.2-py_0.tar.bz2  6 years and 27 days ago 4461 main cf202003
conda 38.2 kB | noarch/qcengine-0.6.1-py_0.tar.bz2  6 years and 1 month ago 4473 main cf202003
conda 38.1 kB | noarch/qcengine-0.6.0-py_0.tar.bz2  6 years and 1 month ago 4269 main cf202003
conda 18.9 kB | noarch/qcengine-0.5.2-py_0.tar.bz2  6 years and 1 month ago 4371 main cf202003
conda 18.2 kB | noarch/qcengine-0.5.1-py_1.tar.bz2  6 years and 2 months ago 5182 main cf202003
conda 16.7 kB | noarch/qcengine-0.5.1-py_0.tar.bz2  6 years and 2 months ago 4272 main cf202003
conda 16.6 kB | noarch/qcengine-0.5.0-py_0.tar.bz2  6 years and 2 months ago 4318 main cf202003
conda 13.9 kB | noarch/qcengine-0.4.0-py_0.tar.bz2  6 years and 4 months ago 4777 main cf202003 cf201901
conda 12.6 kB | noarch/qcengine-0.3.0-py_0.tar.bz2  6 years and 6 months ago 4815 main cf202003 gcc7 cf201901

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