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    qcinteg

    Integrals for Quantum Chemistry

    ...It supports primitive cartesian Gaussian basis functions (GTO) of arbitrary angular momentum and is based on the Hermite Gaussian Expansion. The purpose of this library is to have a handy useful implementation.
    Downloads: 0 This Week
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    ToxOtis
    ToxOtis is a Java interface to the predictive toxicology services of OpenTox. ToxOtis is being developed to help both those who need a painless way to consume OpenTox web services and for ambitious service providers...
    Downloads: 0 This Week
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