cpptraj

MD analysis toolset

Tools for analyzing and processing molecular dynamics trajectory data

Biomolecular simulation trajectory/data analysis.

GitHub
139 stars
14 watching
64 forks
Language: C++
last commit: about 1 month ago
Linked from 1 awesome list


Backlinks from these awesome lists:

Related projects:

Repository Description Stars
d-seams/seams-core Analyzes molecular dynamics trajectories to infer structural properties of molecules 35
mdtraj/mdtraj An open-source library for analyzing molecular dynamics trajectories 602
torchmd/torchmd An end-to-end molecular dynamics engine using PyTorch 578
lammps/lammps A parallel molecular dynamics simulation software package 2,274
choderalab/openmmtools A toolkit providing tools and methods for simulating molecular systems using the OpenMM engine 255
chemosim-lab/prolif Tool for generating interaction fingerprints from molecular dynamics trajectories and docking simulations 377
phoenixding/scdiff Analyzes single-cell RNA-seq data to predict cell differentiation trajectories and associated transcription factors and genes. 28
boscoh/pdbremix Analyzes protein structures and simulations 62
epurdom/cobolt Analyzes and integrates multimodal single-cell sequencing data from different modalities 19
pyomeca/bioptim An optimization framework for biomechanics and control problems using multiple algorithms and libraries. 94
andreaskapou/melissa A software framework for analyzing single-cell DNA methylation data using Bayesian methods 14
alkaline-ml/pmdarima A statistical library for time series analysis and forecasting 1,603
bachlab/pspm A software suite for model-based analysis of psychophysiological signals 45
leppott/biomontools A collection of R functions for analyzing and processing data in biomonitoring and bioassessment 13
coejoder/golem-parallel-matplotlib This project performs statistical analyses on circadian rhythm data using parallel processing to improve efficiency and speed 1