Pinned Repositories
pytraj
Python interface of cpptraj
alchemical-analysis
amber2016_meeting
My slides for AMBER 2016 meeting
amber_library
ase
Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase
molstarview
Try to bring molstar to Jupyter notebook (no lab yet).
notebook-pytraj
pymsmt
Python Metal Site Modeling Toolbox
nglview
Jupyter widget to interactively view molecular structures and trajectories
hainm's Repositories
hainm/ase
Atomic Simulation Environment - mirrored from https://gitlab.com/ase/ase
hainm/jamber
Wrapping some of AmberTools's programs for Jupyter notebook. Please do not use this yet for your production.
hainm/amber-jupyterhub
Multi-user server for Jupyter notebooks for AMBER users.
hainm/amber-win-cross
Not in production yet.
hainm/autopep8
A tool that automatically formats Python code to conform to the PEP 8 style guide.
hainm/cctbx_project
Computational Crystallography Toolbox
hainm/chemview
The new generation molecular viewer for IPython notebook
hainm/conda-recipes
hainm/conda-recipes-1
conda build recipes for the Omnia project
hainm/dockcross
Cross compiling toolchains in Docker images
hainm/dx-toolkit
DNAnexus platform client libraries
hainm/easy_mpi
Embarrassing parallel for beginner
hainm/Flask-AppBuilder
Simple and rapid application development framework, built on top of Flask. includes detailed security, auto CRUD generation for your models, google charts and much more. Demo (login with guest/welcome) - http://flaskappbuilder.pythonanywhere.com/
hainm/google-interview-university
A complete daily plan for studying to become a Google software engineer.
hainm/MINGW-packages
Package scripts for MinGW-w64 targets to build under MSYS2.
hainm/molecular-design-toolkit
Notebook-integrated tools for molecular simulation and visualization
hainm/molecule-autoencoder
A project to enable optimization of molecules by transforming them to and from a continuous representation.
hainm/nanodesign
Python package for working with nucleic acid structural designs.
hainm/notes
my notes, my scripts, my unamed things
hainm/nteract
:notebook: Interactive literate coding notebook!
hainm/oauthenticator
OAuth + JupyterHub Authenticator = OAuthenticator
hainm/registration-flask-test
To learn Flask. Nothing is fun here.
hainm/rx-jupyter
RxJS 5 bindings for the Jupyter Notebook API
hainm/schedule
Python job scheduling for humans.
hainm/software-development
A primer on software development best practices for computational chemistry
hainm/superset
Superset is a data exploration platform designed to be visual, intuitive, and interactive
hainm/symengine.py
Python wrappers for SymEngine
hainm/wintrial
It's evil. Please do not use this repo since nothing works yet.
hainm/wurlitzer
Capture C-level stdout/stderr in Python
hainm/xtensor
Multi-dimensional arrays with broadcasting and lazy computing