A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
☆34Nov 5, 2025Updated 11 months ago
Alternatives and similar repositories for MDVoxelSegmentation
Users that are interested in MDVoxelSegmentation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation☆31Apr 17, 2025Updated last year
- Describe and apply transformation on molecular structures and topologies☆152Updated this week
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated 2 years ago
- MDAnalysis tool to calculate membrane curvature.☆37Updated this week
- Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across Multiple Resolutions☆19Oct 2, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated 6 months ago
- The MDAnalysis Toolkits Registry☆19Updated this week
- Martini 3 small molecule database☆74May 13, 2026Updated 5 months ago
- Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B J. Chem. Theory Comput. 2021, 17, 3134. (https://pubs.acs.org/d…☆11Jun 16, 2022Updated 4 years ago
- Command line interface for MDAnalysis☆23Aug 4, 2026Updated 2 months ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆203Oct 22, 2026Updated last week
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated 2 years ago
- Build coarse-grained mapping for molecules from a web-GUI☆20Sep 10, 2021Updated 5 years ago
- ☆12Jan 1, 2019Updated 7 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- a package to simulate fluid surfaces and biomembranes☆42Sep 27, 2026Updated last month
- Topoly Python test package☆10Sep 8, 2025Updated last year
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated last year
- This package contains tools for setting up hybrid-topology FE calculations☆40Oct 23, 2026Updated last week
- Protocols for running MD simulations in Gromacs☆11Jun 18, 2024Updated 2 years ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆23Oct 31, 2024Updated 2 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- Bokeh extensions to plot molecules easily☆11Jul 14, 2025Updated last year
- Python package for finding coexisting phases in multicomponent mixtures.☆12Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.☆17Aug 12, 2022Updated 4 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆98Oct 19, 2026Updated 2 weeks ago
- Functions for analyzing molecular simulations according to scattering experiments☆10Aug 20, 2021Updated 5 years ago
- ☆10Dec 27, 2019Updated 6 years ago
- ☆14May 22, 2025Updated last year
- A Python package to flexibly aggregate ChEMBL data into ML-ready datasets using configurable quality filters☆16Oct 5, 2026Updated 3 weeks ago
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 8 years ago
- Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.☆18Jun 21, 2022Updated 4 years ago
- A Python package to assist with parameterization and construction of all-atomistic polymer simulations☆18Feb 11, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A CNN for denoising cryo-EM images☆14Dec 9, 2019Updated 6 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆54Oct 27, 2026Updated last week
- Pyrite is a Blender plugin that imports the atomic motions captured by molecular dynamics simulations. Using Pyrite, these motions can be…☆12Jun 30, 2025Updated last year
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 9 months ago
- Automated bonded parameters for Martini 3☆28Jul 20, 2025Updated last year
- ☆21Sep 23, 2025Updated last year
- This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.☆28Oct 1, 2020Updated 6 years ago