pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
☆13Nov 10, 2025Updated 4 months ago
Alternatives and similar repositories for pyMBE
Users that are interested in pyMBE are comparing it to the libraries listed below
Sorting:
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- En este repositorio encontraran el material necesario teorico y practico para el Curso Git Essentials 2023☆22Jul 30, 2023Updated 2 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 11 years ago
- cp2k test☆10May 26, 2019Updated 6 years ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆22Oct 31, 2024Updated last year
- a Python program for running QM/MM simulations using Q-Chem and OpenMM☆16Apr 24, 2022Updated 3 years ago
- Different run and analysis scripts as described in the research guides.☆14Jul 5, 2022Updated 3 years ago
- A composition and automation layer for research workflows.☆38Mar 12, 2026Updated last week
- The MDAnalysis Toolkits Registry☆19Updated this week
- The ESPResSo package☆262Mar 12, 2026Updated last week
- Free learning resources on CFD, ML, HPC, and scientific writing☆34Nov 1, 2025Updated 4 months ago
- An unsecure by-design PWA that students can analyse with a suite of tools and support to build their understanding of web-based secure so…☆10Oct 16, 2025Updated 5 months ago
- Python package to construct free energy profiles from biased molecular simulation data using both log-likelihood maximization and self-co…☆21Jun 27, 2024Updated last year
- AMD Generic Encapsulated Software Architecture Platform Security Processor Configuration Block manipulation library☆16Dec 18, 2025Updated 3 months ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆24Jan 16, 2026Updated 2 months ago
- ☆18Sep 16, 2024Updated last year
- This is a short implementation of N-Tier model software architecture. Use it when you have to reset your main project☆10Nov 10, 2020Updated 5 years ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆36Feb 16, 2026Updated last month
- This library was created to ensure a consistent and culturally relevant localized end-user experience, by leveraging Unicode locale data …☆11Jun 23, 2025Updated 8 months ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆47Aug 19, 2024Updated last year
- Python program for modelling and simulating polymers.☆40Feb 24, 2026Updated 3 weeks ago
- ☆11Aug 19, 2025Updated 7 months ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆28May 2, 2020Updated 5 years ago
- Rule based architecture tests for rust☆13Aug 29, 2023Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆51Mar 9, 2019Updated 7 years ago
- scCellFie infers metabolic activities from single-cell and spatial transcriptomics and offers a variety of downstream analyses.☆53Jan 24, 2026Updated last month
- Presentation Slides for the UIKonf 2015 talk on software architecture in iOS and MacOS X applications☆13May 19, 2015Updated 10 years ago
- Software Architecture Design's Diagram & Doc & Man, CMMI, Togaf, GB-T-8567-2006☆12May 11, 2021Updated 4 years ago
- Design patterns are solutions to the commonly occurring problems in software design. It represents the best practices adopted by experien…☆10Oct 24, 2024Updated last year
- Validate the fitness of your AWS solutions, without the heavy lifting!☆15Sep 2, 2023Updated 2 years ago
- It's a project combined with hardware and software, the goal is to make a smart watch based on esp8266 chip. The smart watch has so many …☆10Jul 9, 2019Updated 6 years ago
- Homework for the Web And Software Architecture course @ Sapienza☆11Jan 24, 2024Updated 2 years ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆12Dec 1, 2025Updated 3 months ago
- Creating machine learning algorithms from scratch☆19Apr 15, 2025Updated 11 months ago
- ☆10Mar 27, 2023Updated 2 years ago
- Julia package of the 2D Ising model☆13Jan 22, 2024Updated 2 years ago
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆24Jun 17, 2024Updated last year
- Habit it is a habit tracker flutter project, built using clean architecture software techniques.☆12Feb 13, 2026Updated last month