Coarse grain to atomistic molecular coordinate and topology converter
☆16Mar 13, 2025Updated last year
Alternatives and similar repositories for ezAlign
Users that are interested in ezAlign are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatic CHARMM-GUI browser interaction with Python☆18Mar 20, 2023Updated 3 years ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated last year
- A Python library for constructing polymer topologies and coordinates☆18Sep 23, 2025Updated 6 months ago
- A HOOMD-blue component for soft matter simulations.☆25Updated this week
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆66Nov 26, 2025Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆42May 1, 2023Updated 2 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 8 months ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆36Mar 23, 2026Updated 2 weeks ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆33Jul 17, 2024Updated last year
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Mar 20, 2026Updated 3 weeks ago
- ☆19Apr 7, 2025Updated last year
- RGM: Random Geological Model Generation package☆14Mar 13, 2026Updated 3 weeks ago
- Example of using JupyterHub with JupyterLab RTC☆11Dec 17, 2021Updated 4 years ago
- python library for dimensionality reduction☆33Oct 28, 2025Updated 5 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated last month
- Data relevant to the article "Machine learning determination of atomic dynamics at grain boundaries" https://arxiv.org/abs/1803.01416☆11Oct 2, 2018Updated 7 years ago
- Unsupervised learning of structure in systems of interacting particles.☆13Nov 13, 2023Updated 2 years ago
- A nearest neighbor multiple-point statistics method for fast geological modeling☆11Jan 25, 2022Updated 4 years ago
- A python library for replica exchange transition interface sampling with infinite swaps☆13Mar 18, 2026Updated 3 weeks ago
- A simple software for constructing artificial binary microstructures in 2D or 3D☆17Mar 6, 2026Updated last month
- Robust Equilibration Detection☆27Feb 2, 2026Updated 2 months ago
- Implementation of the hierarchical smooth algorithm applicable to voxelated images of interface networks ( grain boundaries, soap foam, e…☆10Aug 4, 2021Updated 4 years ago
- Python Tools for NAMD☆24May 7, 2025Updated 11 months ago
- 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 dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.☆13May 13, 2024Updated last year
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Jun 5, 2024Updated last year
- OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations. To cite this Original Software Publicati…☆11May 19, 2021Updated 4 years ago
- An interface for generating simple crystal structures for molecular dynamics simulations.☆17Aug 25, 2025Updated 7 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆70Mar 30, 2026Updated last week
- cuda sdk modify☆10May 10, 2014Updated 11 years ago
- Biobb_amber is a BioBB category for AMBER MD package.☆14Mar 17, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS☆18Oct 14, 2025Updated 5 months ago
- code for paper: Microstructure Representation and Reconstruction of Heterogeneous Materials via Deep Belief Network for Computational Mat…☆11Mar 14, 2017Updated 9 years ago
- Brief tutorial for using Snakemake to create and submit jobs on a HPC cluster.☆15Mar 22, 2022Updated 4 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- This repository contains issues related to the management of all Whitaker Lab projects☆33Aug 21, 2024Updated last year
- Automating the labelling of microstructure patterns in microscope images of welding joints☆12Jun 10, 2018Updated 7 years ago