amir-saadat / BDpackView external linksLinks
A GPU-enabled Brownian dynamics package for simulation of polymeric solutions
☆14Feb 26, 2023Updated 2 years ago
Alternatives and similar repositories for BDpack
Users that are interested in BDpack are comparing it to the libraries listed below
Sorting:
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- 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
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 4 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆12Jul 14, 2021Updated 4 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 4 years ago
- ☆14Jun 4, 2024Updated last year
- 4D Genome Reconstruction and Dynamics Prediction: Maximum Entropy Based HI-C/Distance Map - Polymer Physics - Structures Method☆13Feb 8, 2026Updated last week
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 6, 2026Updated last week
- ☆15Feb 17, 2019Updated 6 years ago
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Apr 7, 2022Updated 3 years ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆19Aug 19, 2024Updated last year
- Builder for molecular systems☆17Feb 3, 2026Updated last week
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Nov 27, 2025Updated 2 months ago
- ☆21Feb 13, 2025Updated last year
- HMM implementation featuring Deal.II (FE) and LAMMPS (MD)☆19Mar 20, 2022Updated 3 years ago
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Nov 19, 2024Updated last year
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 5 months ago
- A software tool based on Monte Carlo methods, ZENO computes material properties at nanoscale.☆21Sep 17, 2024Updated last year
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆23Jan 27, 2020Updated 6 years ago
- 🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains☆27Jul 29, 2021Updated 4 years ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆27Aug 14, 2019Updated 6 years ago
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Oct 29, 2022Updated 3 years ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆27Mar 22, 2022Updated 3 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 6 years ago
- Statistical mechanics models such as random cluster models, random growth models and related processes.☆12Jan 24, 2025Updated last year
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- cp2k test☆10May 26, 2019Updated 6 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆40Oct 1, 2025Updated 4 months ago
- MCMC-based algorithm for sampling surface reconstructions☆38Oct 3, 2025Updated 4 months ago
- ☆32Feb 24, 2022Updated 3 years ago
- How-to for working with COMSOL for Crystal Plasticity☆10Aug 10, 2020Updated 5 years ago
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago
- Python module for identification of conserved water molecules from molecular dynamics trajectories.☆14Updated this week
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44Jan 22, 2026Updated 3 weeks ago