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

copied from conda-forge / qcengine
Type Size Name Uploaded Downloads Labels
conda 231.1 kB | noarch/qcengine-0.29.0-pyhd8ed1ab_0.conda  1 year and 1 month ago 3665 main dev
conda 230.4 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_1.conda  1 year and 1 month ago 185 main dev
conda 231.0 kB | noarch/qcengine-0.28.1-pyhd8ed1ab_0.conda  1 year and 4 months ago 944 main dev
conda 228.8 kB | noarch/qcengine-0.27.0-pyhd8ed1ab_0.conda  1 year and 4 months ago 493 main dev
conda 224.6 kB | noarch/qcengine-0.26.0-pyhd8ed1ab_0.conda  2 years and 21 days ago 26094 main dev
conda 227.5 kB | noarch/qcengine-0.25.0-pyhd8ed1ab_0.tar.bz2  2 years and 1 month ago 1178 main dev
conda 216.8 kB | noarch/qcengine-0.24.1-pyhd8ed1ab_0.tar.bz2  2 years and 4 months ago 28534 main dev
conda 204.3 kB | noarch/qcengine-0.24.0-pyhd8ed1ab_0.tar.bz2  2 years and 5 months ago 6477 main dev
conda 194.6 kB | noarch/qcengine-0.23.0-pyhd8ed1ab_0.tar.bz2  2 years and 9 months ago 18546 main dev
conda 194.5 kB | noarch/qcengine-0.22.0-pyhd8ed1ab_0.tar.bz2  2 years and 10 months ago 2082 main dev
conda 195.8 kB | noarch/qcengine-0.21.0-pyhd8ed1ab_0.tar.bz2  3 years and 29 days ago 12480 main dev
conda 192.9 kB | noarch/qcengine-0.20.0-pyhd8ed1ab_0.tar.bz2  3 years and 2 months ago 5919 main dev
conda 192.3 kB | noarch/qcengine-0.19.1-pyh27ad0ae_0.tar.bz2  3 years and 3 months ago 40 qcdb
conda 159.3 kB | noarch/qcengine-0.19.0-pyhd8ed1ab_0.tar.bz2  3 years and 7 months ago 14273 main dev
conda 149.5 kB | noarch/qcengine-0.18.0-pyhd8ed1ab_0.tar.bz2  3 years and 10 months ago 1659 main dev
conda 141.2 kB | noarch/qcengine-0.17.0-py_0.tar.bz2  4 years and 2 months ago 1693 main dev
conda 139.6 kB | noarch/qcengine-0.16.0-py_0.tar.bz2  4 years and 4 months ago 784 main dev
conda 134.2 kB | noarch/qcengine-0.15.0-py_0.tar.bz2  4 years and 5 months ago 1410 main dev
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  4 years and 10 months ago 2650 main dev
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  5 years and 10 days ago 1742 main dev
conda 92.8 kB | noarch/qcengine-0.12.0-py_0.tar.bz2  5 years and 1 month ago 1614 main dev
conda 81.5 kB | noarch/qcengine-0.11.0-py_0.tar.bz2  5 years and 2 months ago 1275 main dev
conda 77.0 kB | noarch/qcengine-0.10.0-py_0.tar.bz2  5 years and 3 months ago 699 main dev
conda 72.5 kB | noarch/qcengine-0.9.0-py_0.tar.bz2  5 years and 4 months ago 271 main dev
conda 71.2 kB | noarch/qcengine-0.8.2-py_0.tar.bz2  5 years and 4 months ago 258 main dev
conda 71.2 kB | noarch/qcengine-0.8.1-py_0.tar.bz2  5 years and 5 months ago 371 main dev
conda 70.9 kB | noarch/qcengine-0.8.0-py_0.tar.bz2  5 years and 5 months ago 69 main dev
conda 63.4 kB | noarch/qcengine-0.7.1-py_0.tar.bz2  5 years and 6 months ago 706 main dev
conda 41.3 kB | noarch/qcengine-0.6.4-py_0.tar.bz2  5 years and 9 months ago 1504 main dev

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