Only GPU template matching from the PyTOM toolbox

This repository keeps tracks of the internal scripts of the SBC group.

Automatically processes data from a folder with raw tifs and mdocs to cryocare denoised tomograms.

The blessed GitHub Action, for publishing your 📦 distribution files to PyPI, the tokenless way: https://github.com/marketplace/actions/pypi-publish

A conda-smithy repository for mdtraj.

An open source Python framework for transition interface and path sampling calculations.

PyTom software for cryo-tomogram processing

A Python implementation of the MRC2014 file format

A modern, open library for the analysis of molecular dynamics trajectories

Python and C package for HEALPix discretisation of the sphere

Development repository

Python API for advanced FIBSEM control

Command line tools for OpenPathSampling

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling

🚂 Python API for Emma's Markov Model Algorithms 🚂

Small, topic-focused tutorials for OpenPathSampling

Content of https://openmm.org

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

Python process launching

MDAnalysis is a Python library to analyze molecular dynamics simulations.