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  1. DL_for_Peptide_ergm_stats DL_for_Peptide_ergm_stats Public

    Deep Learning Models for Exponential Random Graph Model(ergm) statistics, trained on Molecular Dynamics Simulations

    Python

  2. High_throughput_screening_of_CYS_peptides High_throughput_screening_of_CYS_peptides Public

    Repo for Running insilico Screening of Redox Active Self Assembly Peptides, as well as analyzing them for ERGM simulations

    Shell

  3. geneticAlgorithmNetworkHamiltonian geneticAlgorithmNetworkHamiltonian Public

    Forked from ggrazioli/geneticAlgorithmNetworkHamiltonian

    Genetic algorithm for automated network Hamiltonian model discovery

    R

  4. gmx2charmm gmx2charmm Public

    GROMACS to CHARMM Force Field File Converter

    Rich Text Format 1

  5. colvar_alpha colvar_alpha Public

    Template for Running Colvar Alpha Score Analysis using VMD

    Tcl

  6. MD-Analysis-CSH-CSSC-Fiber MD-Analysis-CSH-CSSC-Fiber Public

    MD trajectory analysis scripts for Cryo-EM Informed Molecular Dynamics Simulations to Investigate the Disulfide Hydrogel Self-Assembly

    R