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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

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Type Size Name Uploaded Downloads Labels
conda 107.0 kB | noarch/qcengine-0.14.0-py_0.tar.bz2  5 years and 10 months ago 8458 main cf202003
conda 102.4 kB | noarch/qcengine-0.13.0-py_0.tar.bz2  6 years and 18 days ago 4611 main cf202003
conda 92.8 kB | noarch/qcengine-0.12.0-py_0.tar.bz2  6 years and 1 month ago 4407 main cf202003
conda 81.5 kB | noarch/qcengine-0.11.0-py_0.tar.bz2  6 years and 2 months ago 4939 main cf202003
conda 77.0 kB | noarch/qcengine-0.10.0-py_0.tar.bz2  6 years and 4 months ago 4890 main cf202003
conda 72.5 kB | noarch/qcengine-0.9.0-py_0.tar.bz2  6 years and 4 months ago 4700 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.2-py_0.tar.bz2  6 years and 5 months ago 5019 main cf202003
conda 71.2 kB | noarch/qcengine-0.8.1-py_0.tar.bz2  6 years and 5 months ago 4463 main cf202003
conda 70.9 kB | noarch/qcengine-0.8.0-py_0.tar.bz2  6 years and 5 months ago 4416 main cf202003
conda 63.4 kB | noarch/qcengine-0.7.1-py_0.tar.bz2  6 years and 6 months ago 5297 main cf202003
conda 55.4 kB | noarch/qcengine-0.7.0-py_0.tar.bz2  6 years and 6 months ago 4367 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.4-py_0.tar.bz2  6 years and 9 months ago 6791 main cf202003
conda 41.3 kB | noarch/qcengine-0.6.3-py_0.tar.bz2  6 years and 9 months ago 4789 main cf202003
conda 39.5 kB | noarch/qcengine-0.6.2-py_0.tar.bz2  6 years and 9 months ago 4933 main cf202003
conda 38.2 kB | noarch/qcengine-0.6.1-py_0.tar.bz2  6 years and 9 months ago 4968 main cf202003
conda 38.1 kB | noarch/qcengine-0.6.0-py_0.tar.bz2  6 years and 10 months ago 4763 main cf202003
conda 18.9 kB | noarch/qcengine-0.5.2-py_0.tar.bz2  6 years and 10 months ago 4863 main cf202003
conda 18.2 kB | noarch/qcengine-0.5.1-py_1.tar.bz2  6 years and 11 months ago 5640 main cf202003
conda 16.7 kB | noarch/qcengine-0.5.1-py_0.tar.bz2  6 years and 11 months ago 4721 main cf202003
conda 16.6 kB | noarch/qcengine-0.5.0-py_0.tar.bz2  6 years and 11 months ago 4799 main cf202003
conda 13.9 kB | noarch/qcengine-0.4.0-py_0.tar.bz2  7 years and 29 days ago 5251 main cf202003 cf201901
conda 12.6 kB | noarch/qcengine-0.3.0-py_0.tar.bz2  7 years and 3 months ago 5312 main cf202003 gcc7 cf201901
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