Lists (10)
Starred repositories
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Vim-fork focused on extensibility and usability
NumPy aware dynamic Python compiler using LLVM
awesome open list of pointers about open science for software and computational science
Tutorial for converting NAMD psf/pdb files to CHARMM PSF/CRD (credit attributed where appropriate to the AMAZING humans who developed these scripts)
Official repository for Spyder - The Scientific Python Development Environment
ParametrizANI - Fast, Accurate and Free Dihedral Parametrization in the Cloud with TorchANI
Download market data from Yahoo! Finance's API
A Zotero plugin for syncing items and notes into Notion
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Zotero plugin to automatically move attachments and link them
Python implementation of the multistate Bennett acceptance ratio (MBAR)
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
🆚 A big pack of icons (200+) for your files
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
The personal knowledge management (PKM) tool that grows as you do!
🙃 A delightful community-driven (with 2,400+ contributors) framework for managing your zsh configuration. Includes 300+ optional plugins (rails, git, macOS, hub, docker, homebrew, node, php, python…
Python replica-exchange simulation facility for OpenMM.
The OpenMM Cookbook and Tutorials
🍺 The missing package manager for macOS (or Linux)
AeroSpace is an i3-like tiling window manager for macOS
📖 A collection of pure bash alternatives to external processes.
Over 425 terminal color schemes/themes for iTerm/iTerm2. Includes ports to Terminal, Konsole, PuTTY, Xresources, XRDB, Remmina, Termite, XFCE, Tilda, FreeBSD VT, Terminator, Kitty, MobaXterm, LXTer…
A launch point for your personal nvim configuration
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more