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Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
Distributed, offline-first bug tracker embedded in git
🐦 A GitHub action to tweet from a repository
shapez is an open source base building game on Steam inspired by factorio!
Python implementation for interfacing between Rosetta and Narupa
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
🔬 OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field
A py.test plugin to validate Jupyter notebooks
Mesh optimization library that makes meshes smaller and faster to render
Godot Shading Language (GLSL-like) porting of the Sketchy Shader (originally written in OSL)
R & stats illustrations by @allison_horst
Rich is a Python library for rich text and beautiful formatting in the terminal.
a plugin for py.test that changes the default look and feel of py.test (e.g. progressbar, show tests that fail instantly)
DFTB+ general package for performing fast atomistic simulations
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Interactive Canvas in Jupyter
LOOS: a lightweight object-oriented structure analysis library
Library for writing Jupyter kernels in .NET Core
Rainbow Parentheses Improved, shorter code, no level limit, smooth and fast, powerful configuration.
Cartoon mesh generation for secondary structure of proteins in C++
Implementation of corrections for diffusion coefficients in membrane simulations.
A SIXEL encoder/decoder implementation derived from kmiya's sixel (https://github.com/saitoha/sixel).
Like "ls", but for images. Shows thumbnails in terminal using sixel graphics.
How to analyze molecular dynamics data with PyEMMA





