thempel's Stars
zsh-users/zsh-autosuggestions
Fish-like autosuggestions for zsh
ohmyzsh/ohmyzsh
🙃 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, etc), 140+ themes to spice up your morning, and an auto-update tool that makes it easy to keep up with the latest updates from the community.
jhpoelen/zenodo-upload
upload big files to Zenodo using cURL, jq and bash
suchow/Dissertate
Beautiful LaTeX dissertation templates.
MDAnalysis/membrane-curvature
MDAnalysis tool to calculate membrane curvature.
networkx/networkx
Network Analysis in Python
maojrs/topics_book
Homebrew/brew
🍺 The missing package manager for macOS (or Linux)
markovmodel/PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
markovmodel/ivampnets
maojrs/msmrd
A general framework to couple Markov state models (MSM) of molecular kinetics with particle-based reaction-diffusion (RD) simulations.
msmdev/pyGPCCA
pyGPCCA - python GPCCA: Generalized Perron Cluster Cluster Analysis package to coarse-grain reversible and non-reversible Markov state models.
mathiasbynens/covid-19-vaccinations-germany
Historical data on COVID-19 vaccination doses administered in Germany, per state.
jayphelps/git-blame-someone-else
Blame someone else for your bad code.
gph82/mdciao
mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
ParmEd/ParmEd
Parameter/topology editor and molecular simulator
ypeleg/HungaBunga
HungaBunga: Brute-Force all sklearn models with all parameters using .fit .predict!
jakobrunge/tigramite
Tigramite is a python package for causal inference with a focus on time series data. The Tigramite documentation is at
tompollard/phd_thesis_markdown
Template for writing a PhD thesis in Markdown
mtoyoda/sl
SL(1): Cure your bad habit of mistyping
sha256feng/mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
fabian-paul/fabian-paul.github.io
Build a Jekyll blog in minutes, without touching the command line.
Mariewelt/OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
inspiremd/kinomodel
A tool for modeling different kinase conformations with various ligand binding poses.
BICompChem/MSM_bind
mdtraj/mdtraj
An open library for the analysis of molecular dynamics trajectories
fabian-paul/simplex
🎆 Tools for building core set MSMs in TICA or VAMP space (https://arxiv.org/abs/1811.12551)
nvbn/thefuck
Magnificent app which corrects your previous console command.
cwehmeyer/pydpc
Clustering by fast search and find of density peaks
openmm/pdbfixer
PDBFixer fixes problems in PDB files