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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 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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