Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of polymer brushes in equilibrium with solvent vapours.
☆13Feb 26, 2024Updated 2 years ago
Alternatives and similar repositories for MDBrushAnalysis
Users that are interested in MDBrushAnalysis are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Files associated with Hall group publications☆11Jul 25, 2026Updated 2 months ago
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆27Sep 24, 2026Updated 2 weeks ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆43Oct 3, 2019Updated 7 years ago
- Polymer self-consistent field theory (Fortran version)☆17Jul 25, 2023Updated 3 years ago
- ☆15Dec 17, 2025Updated 9 months ago
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Jun 17, 2026Updated 3 months ago
- MicroPython board definition for the Blue Button STM32F103RET6 board☆13Aug 7, 2018Updated 8 years ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆11Updated this week
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆19Nov 21, 2019Updated 6 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆43Updated this week
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 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.
- A software tool based on Monte Carlo methods, ZENO computes material properties at nanoscale.☆21Apr 28, 2026Updated 5 months ago
- STable AutoCorrelation Integral Estimator for time-correlated data☆20Sep 25, 2026Updated 2 weeks ago
- LAMMPS input from lammpstutorials.github.io☆64Oct 1, 2025Updated last year
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆24Updated this week
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆23May 7, 2026Updated 5 months ago
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 9 years ago
- TS2CG version 2☆29Apr 18, 2026Updated 5 months ago
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆17Jul 8, 2023Updated 3 years ago
- Python program for modelling and simulating polymers.☆45Jul 6, 2026Updated 3 months 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.
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated last year
- C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphou…☆29Jul 21, 2026Updated 2 months ago
- Python interface for Enhanced Monte Carlo (EMC)☆26Updated this week
- A Python library for constructing polymer topologies and coordinates☆24Sep 23, 2025Updated last year
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago
- Fast PBC wrapping and unwrapping for VMD☆28Nov 25, 2024Updated last year
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 8 years ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆35Updated this week
- LAMMPS configuration files☆13Jan 11, 2017Updated 9 years ago
- AI Agents on 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.
- GROMACS input files☆19May 17, 2023Updated 3 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆30Updated this week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆31Jan 21, 2026Updated 8 months ago
- Free energy perturbation in LAMMPS.☆24Apr 18, 2021Updated 5 years ago
- A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.☆38Jul 29, 2023Updated 3 years ago
- Main ESPResSo++ repository☆45Sep 24, 2026Updated 2 weeks ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆22Oct 31, 2024Updated last year