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conda-forge / packages / qcengine

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

copied from cf-post-staging / qcengine

Filters
Type Size Name Uploaded Downloads Labels
conda 239.1 kB | noarch/qcengine-0.33.0-pyhd8ed1ab_0.conda  2 months and 6 days ago 12686 main
conda 238.5 kB | noarch/qcengine-0.32.0-pyhd8ed1ab_0.conda  5 months and 4 days ago 17692 main
conda 237.0 kB | noarch/qcengine-0.31.0-pyhd8ed1ab_0.conda  8 months and 20 days ago 24596 main
conda 235.2 kB | noarch/qcengine-0.30.0-pyhd8ed1ab_0.conda  1 year and 3 months ago 32606 main
conda 231.7 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_1.conda  1 year and 3 months ago 3000 main
conda 231.1 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda  1 year and 11 months ago 32235 main
conda 230.4 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda  1 year and 11 months ago 2618 main
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  2 years and 1 month ago 9941 main
conda 230.9 kB | noarch/qcengine-0.28.0-pyhd8ed1ab_0.conda  2 years and 1 month ago 1806 main
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  2 years and 2 months ago 7474 main
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  2 years and 10 months ago 39975 main
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  2 years and 10 months ago 5299 main
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  3 years and 1 month ago 19853 main
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  3 years and 2 months ago 6562 main
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  3 years and 6 months ago 18194 main
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  3 years and 8 months ago 6511 main
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  3 years and 10 months ago 6041 main
conda 193.7 kB | noarch/qcengine-0.20.1-pyhd8ed1ab_0.tar.bz2  3 years and 11 months ago 6892 main
conda 192.9 kB | noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2  4 years and 5 days ago 2939 main
conda 159.3 kB | noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2  4 years and 4 months ago 15192 main
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  4 years and 7 months ago 11547 main
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  5 years and 4 days ago 15460 main
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  5 years and 1 month ago 6334 main
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  5 years and 3 months ago 5789 main
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  5 years and 8 months ago 8331 main cf202003
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