ahy3nz

coMMParE

Comparing Molecular Mechanics Potential Energies

mosdef_trappe

Utilizing the Molecular Simulation Design Framework with the TraPPE force field to build and parametrize systems suitable for a variety of simulation engines

ommperator

Python interface to operate on OpenMM objects

ahy3nz.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

BallDontLie

...but sometimes numbers deceive

catsketball

fastpayges

fewshot-face-translation-GAN

Generative adversarial networks integrating modules from FUNIT and SPADE for face-swapping.

cg_mapping

Mapping atomistic systems to coarse-grained systems

yellowtail

Experimental repo for periodic pulls of redfin

colonial

constrainingconductor

ExpressBackEnd

Back End Service for Application

face_toolbox_keras

A collection of deep learning frameworks ported to Keras for face analysis.

ffdraftbuddy

Fantasy football draft tool to understand positional advantage and opportunity

foyer

A package for atom-typing as well as applying and disseminating forcefields

gmso

Flexible storage of chemical topology for molecular simulation

graphene_build

Spontaneous and forced insertion of DNA-loaded graphene sheets into lipid bilayers

hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

mbuild

A hierarchical, component based molecule builder

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

mosdef-workflows

msibi

A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)

ParmEd

Parameter/topology editor and molecular simulator

permeability_functions

Functions for computing permeability from timeseries of forces

plot_ay

it's a "plotay"

poetry-demo

setup

Utilities