Pinned Repositories
molecular-design-toolkit
Notebook-integrated tools for molecular simulation and visualization
notebook-molecular-visualization
2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js
pyccc
Asynchronous job and file i/o management for containers
chemworkflows
Deployable apps using MDT and CCC
CompChemInterchange
Working specification for computational chemistry interchange format
computational-chemistry-software-development
Best practices for developing molecular modeling software
D3R
Drug Design Data Resource is a suite of software to enable filtering, docking, and scoring of new sequences from wwpdb.
docker-cli-sugar
Various CLI shortcuts for common docker operations
DockerMake
A reproducible Docker image build system for complex software stacks
py3dmol
avirshup's Repositories
avirshup/DockerMake
A reproducible Docker image build system for complex software stacks
avirshup/docker-cli-sugar
Various CLI shortcuts for common docker operations
avirshup/computational-chemistry-software-development
Best practices for developing molecular modeling software
avirshup/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
avirshup/molecular-design-toolkit
Notebook-integrated tools for molecular simulation and visualization
avirshup/molecular-simulation-tools
Web applications for molecular modeling using the Molecular Design Toolkit
avirshup/openmm-webbuilder
JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
avirshup/ParmEd
Parameter/topology editor and molecular simulator
avirshup/adafruit-pi-cam
Camera project for Raspberry Pi + camera + Adafruit PiTFT
avirshup/alfred-pinboard-rs
Alfred Workflow for Pinboard (Rust)
avirshup/cursed_http
Automatically mock your HTTP interactions to simplify and speed up testing
avirshup/dayguard
CSS Regression "plugin" for NightwatchJS
avirshup/dotfiles
avirshup/FMSpy
FMS Dynamics in python
avirshup/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
avirshup/heroku-jupyter
One-click deployment for jupyter on heroku
avirshup/hg-pex
Mercurial as a single executable file
avirshup/Indigo
Universal cheminformatics libraries, utilities and database search tools
avirshup/install_ambertools
Install AmberTools binary distribution with all Python requirements
avirshup/KE-complex_modifications
Karabiner-Elements complex_modifications rules
avirshup/mdtcollections
Assortment of collection classes
avirshup/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.
avirshup/nbtests
For NGLView testing
avirshup/python-versioneer
version-string management for VCS-controlled trees
avirshup/QC_JSON_Schema
A JSON Schema for Quantum Chemistry
avirshup/qmk_firmware
Open-source keyboard firmware for Atmel AVR and Arm USB families
avirshup/runremotely
Simple CLI utility for running remote commands with synchronized directory content
avirshup/setuptools_scm
the blessed package to manage your versions by scm tags
avirshup/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
avirshup/vprof
Visual profiler for Python