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assemblystorm-knowledgebase

awsemmd

Associated memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code

awsemtools

Collection of tools used to analyze awsem simulations

cabb99.github.io

cdec039

coarseactin

confgen

Creates a molecular dynamic simulation for NAMD

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

cryptocurrency_predictor

demo-github

epcalc

Epidemic Calculator

factorio-logistics-requests

frustratometer

Implementations of the AWSEM and DCA frustratometers in python.

frustratometer_tools

A small set of tools to pipeline the analysis of frustration in protein structures.

git_example

just a repo to learn how to use gitHub

insilico

introcompbio

A project for the Rice course "Intro to Computational Biology" where we use a genetic algorithm to select between different machine learning methods for prediction of AML patients possible outcomes.

lammps

Public development project of the LAMMPS MD software package

map

An implementation of the Morphological Autoregressive Protocol (MAP) for generation of disordered molecular structures

open3spn2

An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM

openactin

openawsem

An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM

openmm

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

openmmexampleplugin

An example of how to write a plugin for OpenMM

pbc_distances

fast calculation of distance in periodic boundary conditions

pdbtools

A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files

potential-octo-lana

pydca

Direct coupling analysis software for protein and RNA sequences

slurmwrapper

spoon-knife

This repo is for demonstration purposes only.