A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
☆32Nov 5, 2025Updated 6 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☆32Apr 17, 2025Updated last year
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆48Aug 19, 2024Updated last year
- MDAnalysis tool to calculate membrane curvature.☆35May 18, 2026Updated last week
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 years ago
- The MDAnalysis Toolkits Registry☆19May 17, 2026Updated last week
- 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.
- Command line interface for MDAnalysis☆23May 3, 2026Updated 3 weeks ago
- Describe and apply transformation on molecular structures and topologies☆144May 5, 2026Updated 2 weeks ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆189May 8, 2026Updated 2 weeks ago
- ☆28Jan 20, 2022Updated 4 years ago
- Topoly Python test package☆10Sep 8, 2025Updated 8 months ago
- Density based object completion over PBC.☆31Apr 23, 2026Updated last month
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated last year
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated last month
- Martini 3 small molecule database☆72May 13, 2026Updated last week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.☆16Aug 12, 2022Updated 3 years ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated 9 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆49Updated this week
- Protocols for running MD simulations in Gromacs☆10Jun 18, 2024Updated last year
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 10 months ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆22Oct 31, 2024Updated last year
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 8 months ago
- Differentiably evaluate energies using SMIRNOFF force fields☆20Mar 13, 2026Updated 2 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆34May 4, 2026Updated 3 weeks ago
- ☆13May 22, 2025Updated last year
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 4 months ago
- a package to simulate fluid surfaces and biomembranes☆36Dec 22, 2025Updated 5 months ago
- ☆10Dec 27, 2019Updated 6 years ago
- ☆19Feb 6, 2017Updated 9 years 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…☆10Jun 16, 2022Updated 3 years ago
- Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.☆18Jun 21, 2022Updated 3 years ago
- A CNN for denoising cryo-EM images☆13Dec 9, 2019Updated 6 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Tool for generating MARTINI Polymer itps and structures☆17Aug 1, 2020Updated 5 years ago
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 7 years ago
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆19Updated this week
- A comprehensive tool for analyzing liquid solvation structure.☆54Nov 26, 2025Updated 5 months ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Gibberify is a simple gibberish generator that translates words from a real language to a pronounceable gibberish.☆20Oct 25, 2019Updated 6 years ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆78Apr 6, 2026Updated last month