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Vyshnavi Karra's Projects

bmp icon bmp

Biology Meets Programming: Bioinformatics for Beginners

covid-19-data icon covid-19-data

An ongoing repository of data on coronavirus cases and deaths in the U.S.

discoverfuntimes icon discoverfuntimes

How to get started on the NU Discovery cluster. Scroll down to see the table of contents.

foyer icon foyer

A package for atom-typing as well as applying and disseminating forcefields

gromacswrapper icon gromacswrapper

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x, all with the same Python code) into python scripts.

llc_membranes icon llc_membranes

Set up, simulate and analyze the results of molecular dynamics simulations of lyotropic liquid crystal membranes

martinize.py icon martinize.py

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

mbuild icon mbuild

A hierarchical, component based molecule builder

mosdef_tutorials icon mosdef_tutorials

A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit

numerical-mooc icon numerical-mooc

A course in numerical methods with Python for engineers and scientists: currently 5 learning modules, with student assignments.

openff-toolkit icon openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

openmm icon openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

r-programming icon r-programming

JHU's R Programming Course - Quizzes, exercises and homeworks

rosette_nanotube_simulations icon rosette_nanotube_simulations

This is for the simulation work on rosette nanotubes by Dr. Francisco Hung's computational lab at Northeastern University (Boston, MA). This was created by Vyshnavi Karra (GitHub: vk208).

ultradeformable_liposome_simulations icon ultradeformable_liposome_simulations

This is for the simulation work done by Dr. Francisco Hung's computational lab at Northeastern University (Boston, MA). This was created by Vyshnavi Karra and Jiaming Xu.

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