An Android app for WaveShare passive NFC-powered E-Ink displays, to generate and flash content.

A collection of codes that come handy in quotidian tasks and simplify them.

Stanford LaTeX thesis template

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.

Toy implementation of RSA in C

Productivity Tools for Plotly + Pandas

Template for Latex and/or Pandoc to quickly write reviews and (author) response letters

PDBFixer fixes problems in PDB files

Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

conda build recipes for the Omnia project

WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

Fitbit API Python Client Implementation

parallel graph management and execution in heterogeneous computing

Generate bootstrapped confidence intervals for A/B testing in Python.

Awesome Books

How to be low-level programmer

StarCraft II Learning Environment

Jupyter meets Vim. Vimmer will fall in love.

The Persistence of Vision Raytracer (POV-Ray)

Numba tutorial for GTC 2017 conference

GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.

Membrane protein builder and parameterizer

A primer on software development best practices for computational chemistry

Collection of optional dmenu hacking scripts:

Investigate water in MD trajectories

Statsmodels: statistical modeling and econometrics in Python

Installable VMD as a python module

The official source code repository for the calibre ebook manager

🏗️ Statistical models for biomolecular dynamics 🏗️