chrisjonesBSU
Using molecular dynamics to study polymer physics. Working towards my Material Science PhD at Boise State University. Member of @cmelab and @mosdef-hub
Boise State UniversityBoise, ID
Pinned Repositories
bead-spring-flow
Signac-Flow repo for simulating bead-spring coarse-grained polymer systems.
cmeutils
cmeutils-feedstock
A conda-smithy repository for cmeutils.
constrained-random-walk
Python script to generate unconfined or confined random walks in the presence of walls
entangled
Some GSD and Hoomd tools to study the primitive path mesh and entanglements in dense polymer systems.
flowerMD
Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
gmso
Flexible storage of chemical topology for molecular simulation
polybinderCG
msibi
A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)
mbuild
A hierarchical, component based molecule builder
chrisjonesBSU's Repositories
chrisjonesBSU/polybinderCG
chrisjonesBSU/entangled
Some GSD and Hoomd tools to study the primitive path mesh and entanglements in dense polymer systems.
chrisjonesBSU/cmeutils
chrisjonesBSU/cmeutils-feedstock
A conda-smithy repository for cmeutils.
chrisjonesBSU/flowerMD
Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
chrisjonesBSU/gmso
Flexible storage of chemical topology for molecular simulation
chrisjonesBSU/Entanglements
chrisjonesBSU/espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
chrisjonesBSU/flow-templates
A place to keep some minimal signac-flow templates on hand.
chrisjonesBSU/flowermd-feedstock
A conda-smithy repository for flowermd.
chrisjonesBSU/foyer
A package for atom-typing as well as applying and disseminating forcefields
chrisjonesBSU/getting-started
chrisjonesBSU/gmso-feedstock
A conda-smithy repository for gmso.
chrisjonesBSU/grits
A toolkit for working with coarse-grain systems
chrisjonesBSU/grits-feedstock
A conda-smithy repository for grits.
chrisjonesBSU/hoomd-blue
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
chrisjonesBSU/hoomd-examples
HOOMD-blue example scripts.
chrisjonesBSU/mamba
The Fast Cross-Platform Package Manager
chrisjonesBSU/mbuild
A hierarchical, component based molecule builder
chrisjonesBSU/mbuild-feedstock
A conda-smithy repository for mbuild.
chrisjonesBSU/mdtraj
An open library for the analysis of molecular dynamics trajectories
chrisjonesBSU/mosdef_tutorials
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
chrisjonesBSU/msibi
A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)
chrisjonesBSU/pekk-cg-model
chrisjonesBSU/polyply_1.0
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
chrisjonesBSU/pyknotid
A Python package for analysing knots and links, in space-curves or from standard topological notations
chrisjonesBSU/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
chrisjonesBSU/rdkit
The official sources for the RDKit library
chrisjonesBSU/shell
Pop!_OS Shell
chrisjonesBSU/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks