svarner9

Samuel Varner's starred repositories

allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Language:PythonMIT31000

Coherent-States-RPA

Code examples for supramolecular polymers using the random phase approximation (RPA)

Language:PythonMIT100

mdcraft

A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems

Language:PythonGPL-3.0800

PySAGES

Python Suite for Advanced General Ensemble Simulations

Language:PythonNOASSERTION5900

mdhelper

A batteries-included toolkit of analysis modules and helper functions for molecular dynamics (MD) simulations.

Language:PythonGPL-3.0800

Clapeyron.jl

Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.

Language:JuliaMIT19000

mw

A git clone of the Molecular Workbench svn repository: svn synched with trunk branch, possible additional work in master

Language:JavaGPL-2.0200

minim

A collection of music service (iTunes, Qobuz, Spotify, TIDAL) APIs for media information retrieval and semi-automated music tagging.

Language:PythonGPL-3.04000