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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 20 days ago 15801 main
conda 235.2 kB | noarch/qcengine-0.30.0-pyhd8ed1ab_0.conda  9 months and 12 days ago 31975 main
conda 231.7 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_1.conda  9 months and 15 days ago 2632 main
conda 231.1 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda  1 year and 5 months ago 31883 main
conda 230.4 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda  1 year and 5 months ago 2236 main
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  1 year and 7 months ago 9581 main
conda 230.9 kB | noarch/qcengine-0.28.0-pyhd8ed1ab_0.conda  1 year and 7 months ago 1463 main
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  1 year and 8 months ago 7134 main
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  2 years and 4 months ago 39518 main
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  2 years and 4 months ago 4937 main
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  2 years and 7 months ago 19497 main
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  2 years and 8 months ago 6209 main
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  3 years and 22 days ago 17856 main
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  3 years and 2 months ago 6159 main
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  3 years and 4 months ago 5707 main
conda 193.7 kB | noarch/qcengine-0.20.1-pyhd8ed1ab_0.tar.bz2  3 years and 5 months ago 6543 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 14852 main
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  4 years and 1 month ago 11194 main
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  4 years and 6 months ago 15107 main
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  4 years and 7 months ago 5990 main
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  4 years and 9 months ago 5423 main
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  5 years and 2 months ago 7985 main cf202003
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  5 years and 3 months ago 4146 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 4454 main cf202003
conda 77.0 kB | noarch/qcengine-0.10.0-py_0.tar.bz2  5 years and 7 months ago 4426 main cf202003
conda 72.5 kB | noarch/qcengine-0.9.0-py_0.tar.bz2  5 years and 7 months ago 4237 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 3998 main cf202003
conda 70.9 kB | noarch/qcengine-0.8.0-py_0.tar.bz2  5 years and 8 months ago 3957 main cf202003
conda 63.4 kB | noarch/qcengine-0.7.1-py_0.tar.bz2  5 years and 9 months ago 4805 main cf202003
conda 55.4 kB | noarch/qcengine-0.7.0-py_0.tar.bz2  5 years and 9 months ago 3910 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.4-py_0.tar.bz2  6 years and 16 days ago 6306 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.3-py_0.tar.bz2  6 years and 21 days ago 4302 main cf202003
conda 39.5 kB | noarch/qcengine-0.6.2-py_0.tar.bz2  6 years and 29 days ago 4464 main cf202003
conda 38.2 kB | noarch/qcengine-0.6.1-py_0.tar.bz2  6 years and 1 month ago 4478 main cf202003
conda 38.1 kB | noarch/qcengine-0.6.0-py_0.tar.bz2  6 years and 1 month ago 4274 main cf202003
conda 18.9 kB | noarch/qcengine-0.5.2-py_0.tar.bz2  6 years and 1 month ago 4374 main cf202003
conda 18.2 kB | noarch/qcengine-0.5.1-py_1.tar.bz2  6 years and 2 months ago 5185 main cf202003
conda 16.7 kB | noarch/qcengine-0.5.1-py_0.tar.bz2  6 years and 2 months ago 4277 main cf202003
conda 16.6 kB | noarch/qcengine-0.5.0-py_0.tar.bz2  6 years and 2 months ago 4321 main cf202003
conda 13.9 kB | noarch/qcengine-0.4.0-py_0.tar.bz2  6 years and 4 months ago 4780 main cf202003 cf201901
conda 12.6 kB | noarch/qcengine-0.3.0-py_0.tar.bz2  6 years and 7 months ago 4819 main cf202003 gcc7 cf201901

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