Pinned Repositories
mbuild
A hierarchical, component based molecule builder
mosdef_slitpore
A variety of water and carbon slit-pore simulations
Pore-Builder
mBuild recipe for building slit-pores.
foyer
A package for atom-typing as well as applying and disseminating forcefields
mbuild-cookiecutter
Cookiecutter for mBuild recipes
phase-separation
Image analysis to detect phase separation in mixtures of fluids.
pyfooty
Scrape data from FBRef website with Python
ramtools
Collection of tools for molecular simulation
true_graphene
TRUE Simulation of a Graphene Slit Pore
water_vhf_analysis
Notebooks and scripts to run VHF analyses of water
rmatsum836's Repositories
rmatsum836/il_solvent_local
IL-solvent simulation setup
rmatsum836/my_docker_files
Miscellaneous docker files
rmatsum836/phase-separation
Image analysis to detect phase separation in mixtures of fluids.
rmatsum836/resume
Software developer resume in Latex
rmatsum836/umbrella-scripts
rmatsum836/aqueous-electrolytes
rmatsum836/calculator
Calculator class to showcase git development
rmatsum836/crypto-prices
rmatsum836/droplet-builder
mBuild recipe for building droplets on surfaces
rmatsum836/FBref_EPL
A scrape of player and team data from FBref
rmatsum836/fomms_integrate
rmatsum836/foyer-cookiecutter
A Cookiecutter template for foyer force fields
rmatsum836/gh-action-pypi-publish
GitHub Action for publishing pre-built distribution packages to PyPI (from `dist/` dir) [guide: https://packaging.python.org/guides/publishing-package-distribution-releases-using-github-actions-ci-cd-workflows/]
rmatsum836/gmso-examples
Demonstrating GMSO as a backend for preparing molecular simulation
rmatsum836/lammps
Public development project of the LAMMPS MD software package
rmatsum836/mbuild-examples
mBuild examples
rmatsum836/mBuild-tutorials
A collection of Jupyter notebooks designed to show off the functionality of mBuild
rmatsum836/mbuild_bulk_water
rmatsum836/mbuild_ONA
A preliminary implementation of the ONA model (Ghobadi and Jayaraman, Soft Matter, 2016, 12, 2276) on MoSDeF platform (https://mosdef.org).
rmatsum836/mosdef-workflows
rmatsum836/mosdef_tutorials
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
rmatsum836/mtools
rmatsum836/oak_ridge
rmatsum836/ParmEd
Parameter/topology editor and molecular simulator
rmatsum836/pypi
rmatsum836/rc-files
rmatsum836/signac-projects
Signac workflows that I've used in my research
rmatsum836/software-development
A primer on software development best practices for computational chemistry
rmatsum836/think_tennessee
A place to coordinate and collaborate around analytic work with Think Tennessee (https://thinktennessee.org/)
rmatsum836/trackpy
Python particle tracking toolkit