Highlights
- Pro
Stars
A collection of codes that come handy in quotidian tasks and simplify them.
qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.
Productivity Tools for Plotly + Pandas
Template for Latex and/or Pandoc to quickly write reviews and (author) response letters
Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
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.
How to be low-level programmer
Jupyter meets Vim. Vimmer will fall in love.
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:
Statsmodels: statistical modeling and econometrics in Python
The official source code repository for the calibre ebook manager
🏗️ Statistical models for biomolecular dynamics 🏗️