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  1. Chem359_programming_project Chem359_programming_project Public

    A tool that locates and lists the intramolecular interactions in each frame of a NetCDF MD trajectory file

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  2. Chem359_gillespie Chem359_gillespie Public

    Gillespie Algorithm - Stochastic Simulation of Chemical Reactions

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    Bunch of programs I have installed in my Arch setup

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    Convert amino acid sequence to SMILES format

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    scripts to parse GAUSSIAN output files

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  6. Amino-acids-ANN Amino-acids-ANN Public

    some scripts used for ANN training of DFT data

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