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oishika-1's Projects

cotranslocationalunfolding icon cotranslocationalunfolding

It contains input files to simulate protein translocation across pores of metal-organic frameworks (MOFs) using Molecular Dynamics simulations.

cp2k icon cp2k

Quantum chemistry and solid state physics software package

gmx_first_aid icon gmx_first_aid

A command line utility intended to assist in recovering data from corrupted gromacs trajectories.

insane icon insane

INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems

martinize.py icon martinize.py

Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.

md-task icon md-task

Tool suite for analysing molecular dynamics trajectories using network analysis and PRS

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

mof icon mof

Metal–organic frameworks paper

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