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David Stelter (dstelter92)

dstelter92

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Location:Boston, MA

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David Stelter's starred repositories

dftbplus

DFTB+ general package for performing fast atomistic simulations

Language:FortranLicense:NOASSERTIONStargazers:315Issues:0Issues:0

openmm-torch

OpenMM plugin to define forces with neural networks

Language:C++Stargazers:174Issues:0Issues:0

cantera

Chemical kinetics, thermodynamics, and transport tool suite

Language:C++License:NOASSERTIONStargazers:583Issues:0Issues:0

qmd-progress

PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.

Language:FortranLicense:NOASSERTIONStargazers:19Issues:0Issues:0

LATTE

Developer repository for the LATTE code

Language:FortranLicense:NOASSERTIONStargazers:38Issues:0Issues:0

QTC

Python modules for quantum thermochemistry calculations.

Language:PythonLicense:Apache-2.0Stargazers:7Issues:0Issues:0

sparta

Public development project of the SPARTA DSMC software package http://sparta.sandia.gov

Language:C++License:GPL-2.0Stargazers:140Issues:0Issues:0

MMM-DarkSkyForecast

Magic Mirror module to display weather information using the Dark Sky API

Language:JavaScriptStargazers:84Issues:0Issues:0

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

Language:PythonLicense:MITStargazers:371Issues:0Issues:0

raspberry-pi-safe-off-switch

A set of scripts that can be used to provide a "safe power off switch" for a Raspberry Pi.

Language:PythonStargazers:190Issues:0Issues:0

LIGGGHTS-PUBLIC

official release of the LIGGGHTS® DEM software by DCS Computing. For further info, forums, and bug reports, please visit http://www.cfdem.com. For the DEM software Aspherix® by DCS Computing that replaces LIGGGHTS, please visit https://www.aspherix-dem.com/

Language:C++License:GPL-2.0Stargazers:252Issues:0Issues:0

piazza-api

Unofficial Client for Piazza's Internal API

Language:PythonLicense:MITStargazers:185Issues:0Issues:0

InterMol

Conversion tool for molecular simulations

Language:PythonLicense:MITStargazers:179Issues:0Issues:0

ParaTemp

A package for molecular dynamics analysis and parallel tempering in GROMACS

Language:PythonLicense:Apache-2.0Stargazers:11Issues:0Issues:0

lammps-drude

Drude pair polarizability in LAMMPS

Language:C++Stargazers:8Issues:0Issues:0

POLIR

This is the most-updated version of the POLIR code

Language:FortranStargazers:1Issues:0Issues:0

mqds

A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems

Language:FortranLicense:BSD-3-ClauseStargazers:3Issues:0Issues:0

moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

Language:PythonLicense:MITStargazers:244Issues:0Issues:0

lammps

Public development project of the LAMMPS MD software package

Language:C++License:GPL-2.0Stargazers:2120Issues:0Issues:0