mdtraj

There are 10 repositories under mdtraj topic.

mdtraj/mdtraj
An open library for the analysis of molecular dynamics trajectories
Language:Python585 47 1k279
Marcello-Sega/pytim
a python package for the interfacial analysis of molecular simulations
Language:Python79 8 4434
choderalab/fahmunge
Tools for Munging Folding@Home datasets
Language:Python4 12 256
paulshamrat/ColabMDA
User friendly molecular dynamics simulation combining GROMACS and Google Colab: A complete guide
Language:Jupyter Notebook4 1 01
ravenswing/mdsaps
Molecular Dynamics - Simulation Analysis and Preparation Suite
Language:Python2 2 130
matsunagalab/tutorial_analyzingMDdata
Google colab notebooks for typical MD trajectory analysis routines with Python
Language:Jupyter Notebook1 1 00
ravenswing/phd_tools
Auxiliary tools and scripts initially made for my PhD projects.
Language:Jupyter Notebook1 2 00
ShuklaGroup/optimalProbes
https://github.com/ShuklaGroup/optimalProbes/wiki
Language:Jupyter Notebook1 3 00
gilga001/HPCandBigDataPipeline
A published paper in PEARC18: Combining HPC and Big Data Infrastructures in Large-Scale Post-Processing of SimulaBon Data: A Case Study
Language:Python0 2 00
i-l-sokolov/RosettaFoldNA_output_analysis
Analysis of RoseTTAFold2NA structure predictions to understand whether it can be used to determine the spacing and/or orientation preferences of transcription factors
Language:Python00