avirshup

DockerMake

A reproducible Docker image build system for complex software stacks

docker-cli-sugar

Various CLI shortcuts for common docker operations

computational-chemistry-software-development

Best practices for developing molecular modeling software

libcloud

Apache Libcloud is a Python library which hides differences between different cloud provider APIs and allows you to manage different cloud resources through a unified and easy to use API

molecular-design-toolkit

Notebook-integrated tools for molecular simulation and visualization

molecular-simulation-tools

Web applications for molecular modeling using the Molecular Design Toolkit

openmm-webbuilder

JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.

ParmEd

Parameter/topology editor and molecular simulator

adafruit-pi-cam

Camera project for Raspberry Pi + camera + Adafruit PiTFT

alfred-pinboard-rs

Alfred Workflow for Pinboard (Rust)

cursed_http

Automatically mock your HTTP interactions to simplify and speed up testing

dayguard

CSS Regression "plugin" for NightwatchJS

dotfiles

FMSpy

FMS Dynamics in python

geomeTRIC

Geometry optimization code that includes the TRIC coordinate system

heroku-jupyter

One-click deployment for jupyter on heroku

hg-pex

Mercurial as a single executable file

Indigo

Universal cheminformatics libraries, utilities and database search tools

install_ambertools

Install AmberTools binary distribution with all Python requirements

KE-complex_modifications

Karabiner-Elements complex_modifications rules

mdtcollections

Assortment of collection classes

minimal-react-webpack-babel-setup

The minimal React, Webpack, Babel Setup. You want to get beyond create-react-app? Read this tutorial how to setup your own boilerplate project.

nbtests

For NGLView testing

python-versioneer

version-string management for VCS-controlled trees

QC_JSON_Schema

A JSON Schema for Quantum Chemistry

qmk_firmware

Open-source keyboard firmware for Atmel AVR and Arm USB families

runremotely

Simple CLI utility for running remote commands with synchronized directory content

setuptools_scm

the blessed package to manage your versions by scm tags

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

vprof

Visual profiler for Python