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PyQuante: Python Quantum Chemistry — PyQuante 1.6.3 documentation
Descripción: "Python Quantum Chemistry" - an open-source suite of programs for developing quantum chemistry methods. Emphasis is on simplicity, rather than speed, but some bottlenecks are written in C.
Lo más buscado: pyquante sourceforge
clasificación:
3.0 / 5.0, revisado por Sites Like Search
idioma: English
Temas de este sitio: chemistry
CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation
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User-friendly software uses gamess/gaussian outputs to build molecular orbital energy-level diagrams, UV/VIS spectra, density maps and prepare them for publication
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OpenEye Scientific Software develops software for drug design, molecular modeling, virtual screening and lead-hopping. Areas of expertise include cheminformatics ...
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"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions ...
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Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "competitors" from using their product.
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Open source program package for calculation of thermodynamic functions from molecular data.
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ChemSW is a provider of chemical inventory managment systems and program software, MSDS systems and chemistry laboratory software.
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Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation ...
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