cabb99

open3spn2

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

OpenActin

awsemtools

Collection of tools used to analyze awsem simulations

cdec039

awsemmd

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

Frustratometer

Implementations of the AWSEM and DCA frustratometers in python.

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

openmm

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

cryptocurrency_predictor

openawsem

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

assemblystorm-knowledgebase

cabb99.github.io

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

demo-github

epcalc

Epidemic Calculator

factorio-logistics-requests

git-lesson-molssi

git_example

just a repo to learn how to use gitHub

MAP

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

msf_2024

openmmexampleplugin

An example of how to write a plugin for OpenMM

pdbtools

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

periodic-table

pydca

Direct coupling analysis software for protein and RNA sequences

qvalue

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

test_project

demo pip conda and versioning

Tools

USER-3SPN2

Coarse-grained molecular model of DNA (LAMMPS plugin)