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1. gmx2charmm gmx2charmm Public

   GROMACS to CHARMM Force Field File Converter

   Rich Text Format

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. colvar_alpha colvar_alpha Public

   Template for Running Colvar Alpha Score Analysis using VMD

   Tcl

4. 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

5. 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