Showing 3 open source projects for "compound"

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  • 1

    Toxmatch

    Exploring chemical similarity

    ...The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set.
    Downloads: 0 This Week
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  • 2
    A GUI to calculate chemical compound characteristics along with their Neutron and X-Ray Scattering Length Densities. Comes as standalone package for Windows, Linux and MacOS (in the future).
    Downloads: 0 This Week
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  • 3
    This project is aimed at providing useful thermodynamic tools for biochemists, including formation energy estimation of virtually every biochemical compound and metabolic pathway analysis and profiling.
    Downloads: 0 This Week
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