Analysis of Molecular Dynamics output in the IPython Notebook
☆10Jan 24, 2017Updated 9 years ago
Alternatives and similar repositories for ipymd
Users that are interested in ipymd are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆16Jul 20, 2018Updated 7 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- Python bindings for TNG file format☆13Oct 14, 2025Updated 8 months ago
- a quick primer on making prettier (and more impactful) plots☆14Sep 27, 2015Updated 10 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Examples and data for performing path similarity analysis (PSA).☆18Oct 23, 2015Updated 10 years ago
- Access to data for workshops and extended tests of MDAnalysis.☆19Apr 3, 2026Updated 2 months ago
- persistent, pythonic trees for heterogeneous data☆33May 20, 2022Updated 4 years ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Este é um repositório que contem os notebooks do projeto PET.py do PET - Física da UFRN.☆17Jun 21, 2026Updated last week
- MDAnalysis home page mdanalysis.org as GitHub pages.☆14Jun 24, 2026Updated last week
- LAMMPS configuration files☆13Jan 11, 2017Updated 9 years ago
- A tiny package to compute the dynamics of stochastic and molecular simulations☆33Jul 11, 2023Updated 2 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- User Guide for MDAnalysis☆31Updated this week
- Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.☆18Jun 21, 2022Updated 4 years ago
- RADICAL-Pilot☆64May 25, 2026Updated last month
- Reads Gromacs EDR file to populate a pandas dataframe☆34Oct 12, 2025Updated 8 months ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories☆26Dec 7, 2019Updated 6 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated last year
- A collection of scripts to interpret/organize VASP output files☆24Oct 13, 2016Updated 9 years ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 7 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Dockerized Python3 Jupyter/ipyparallel cluster☆11Sep 20, 2021Updated 4 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- Python SDK and examples for the RSpace API☆17Apr 20, 2026Updated 2 months ago
- Molecular Dynamics in the Open☆91Updated this week
- MD trajectory server☆38Jul 6, 2023Updated 2 years ago
- ☆16May 11, 2026Updated last month
- GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Pyth…☆11Nov 14, 2016Updated 9 years ago
- Several Compressed Sensing functions for Julia☆23Feb 6, 2018Updated 8 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop☆13Jul 22, 2016Updated 9 years ago
- Best Practices article intended for LiveCoMS☆43Mar 26, 2026Updated 3 months ago
- ☆13Jul 13, 2018Updated 7 years ago
- Deep Reinforcement Learning that makes you smile☆16Jul 6, 2017Updated 8 years ago
- A python library for simulating field theories with topological defects☆16Feb 3, 2026Updated 4 months ago
- An event-driven particle simulator and visualisation code. Please see the website below for more information.☆60Aug 13, 2025Updated 10 months ago
- This repository contains reference data from the Richardson Lab at Duke.☆17Jul 26, 2023Updated 2 years ago