A tutorial code to perform Monte Carlo simulations of patchy particles
☆12Dec 1, 2025Updated 9 months ago
Alternatives and similar repositories for PatchyParticles
Users that are interested in PatchyParticles are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A C++ library to implement the "virtual-move" Monte Carlo algorithm for approximating the dynamical evolution of systems of strongly inte…☆22Jul 21, 2025Updated last year
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 5 months ago
- Computational Statistical Mechanics Tutorials☆15Nov 29, 2012Updated 13 years ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆15Nov 24, 2020Updated 5 years ago
- ☆14Apr 12, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Some of useful tcl scripts to analyse data from VMD☆16Aug 2, 2022Updated 4 years ago
- oxView: Visualization and editing tool for DNA/RNA nanotechnology and oxDNA/oxRNA configuration analysis☆60Jul 10, 2026Updated last month
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- This is the repository for the 2021 uq-bio Summer School☆13May 9, 2022Updated 4 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆49Updated this week
- PDBench is a dataset and software package for evaluating fixed-backbone sequence design algorithms.☆33Jan 17, 2023Updated 3 years ago
- ☆10Jun 9, 2026Updated 2 months ago
- Computational materials design, with less code.☆13Updated this week
- 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
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆40Nov 2, 2022Updated 3 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 11 months ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 4 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆12Apr 11, 2021Updated 5 years ago
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 8 years ago
- Some examples of how to do some core things in Git☆10Apr 12, 2019Updated 7 years ago
- 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.
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 6 years ago
- Handwriting is a plugin for Reveal.js.☆15Aug 4, 2020Updated 6 years ago
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 6 months ago
- ☆11Aug 30, 2020Updated 6 years ago
- Simple Julia Lattice Boltzmann Solver for Thin Liquid Films and Droplets, approximating the thin film equation.☆32Aug 3, 2026Updated last month
- ☆13Oct 9, 2020Updated 5 years ago
- ☆11Oct 18, 2019Updated 6 years ago
- pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an…☆13Aug 28, 2026Updated last week
- 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 software package to identify and locate knots in polymers☆14Nov 20, 2022Updated 3 years ago
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 4 years ago
- A Python package for creating xmgrace files.☆19Aug 21, 2023Updated 3 years ago
- ☆15Feb 17, 2019Updated 7 years ago
- a tool for building wiki websites for academic labs based on GitHub pages.☆16May 29, 2018Updated 8 years ago
- Batch Bayesian Optimization within the Model Reification and Fusion Framework☆10Oct 8, 2021Updated 4 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago