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Pinned

  1. Kinetica-jl/Kinetica.jl Kinetica-jl/Kinetica.jl Public

    Automated chemical reaction networking with long-timescale kinetic simulations in Julia

    Julia 1

  2. Kinetica-jl/KineticaKPM.jl Kinetica-jl/KineticaKPM.jl Public

    Kinetica.jl extension package for KPM calculator

    Julia

  3. HabershonLab/cde HabershonLab/cde Public

    Fortran 1

  4. KineticPredictorModel KineticPredictorModel Public

    Forked from idilismail/KineticPredictorModel

    📈Ea Prediction using molecular structure and energy

    Python

  5. OBCanonicalRadicals OBCanonicalRadicals Public

    Python package for canonically resolving OpenBabel's approach to radical detection

    Python

  6. libAtoms/ExtXYZ.jl libAtoms/ExtXYZ.jl Public

    Extended XYZ read/write support for Julia

    Julia 11 5