Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
☆35Jul 15, 2022Updated 4 years ago
Alternatives and similar repositories for simpatico
Users that are interested in simpatico are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- 2D and 3D wormlike chain generator for Python and written in C++☆19May 26, 2025Updated last year
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆41Updated this week
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Mar 10, 2026Updated 5 months ago
- Statistical mechanics models such as random cluster models, random growth models and related processes.☆12Jan 24, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- Kinetic Monte Carlo simulator for polymerization reactions☆13Dec 30, 2016Updated 9 years ago
- A lightweight C++11 Monte Carlo molecular simulation engine☆10Aug 1, 2017Updated 9 years ago
- Software Suite for Advanced General Ensemble Simulations☆93Feb 24, 2023Updated 3 years ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Monte Carlo and Molecular Dynamics Simulation Package☆95Jul 20, 2024Updated 2 years ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆12May 7, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆15Feb 17, 2019Updated 7 years ago
- JeLLyFysh - a Python application for all-atom event-chain Monte Carlo. Version 1.0 (August 1st, 2019)☆16Jul 7, 2023Updated 3 years ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 10 months ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆23Updated this week
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- atomes: codeblocks dev files☆15Jun 12, 2026Updated 2 months ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Nov 27, 2025Updated 8 months ago
- ☆17Jun 12, 2022Updated 4 years ago
- Stochastic first-passage time (FPT) simulations using importance sampling.☆10Oct 2, 2024Updated last year
- 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.
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- ☆11Aug 3, 2026Updated last week
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- A Python/Fortran order parameter analysis library☆14Dec 22, 2020Updated 5 years ago
- Coarse-grained simulations of biomolecular complexes☆13Aug 2, 2023Updated 3 years ago
- BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics …☆19Jul 29, 2026Updated 2 weeks ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Apr 7, 2022Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆49May 8, 2026Updated 3 months ago
- PyEMMA Jupyter Notebooks☆13Jan 28, 2021Updated 5 years ago
- 🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains☆27Jul 29, 2021Updated 5 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆68Aug 2, 2026Updated last week
- Discontinuous Molecular Dynamics (DMD) Simulation Package☆16Jun 8, 2026Updated 2 months ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 4 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 3 years ago