LAMMPS input from lammpstutorials.github.io
☆60Oct 1, 2025Updated 7 months ago
Alternatives and similar repositories for lammpstutorials-inputs
Users that are interested in lammpstutorials-inputs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Personal functions for making figures in Python☆19Mar 24, 2026Updated last month
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 3 months ago
- LAMMPS tutorials for both beginners and advanced users☆142Oct 2, 2025Updated 7 months ago
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 8 months ago
- LAMMPS inputs and data files☆307Oct 9, 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.
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆20Aug 19, 2024Updated last year
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 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
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆315Nov 17, 2025Updated 6 months ago
- LAMMPS tutorials for Beginners☆468Feb 19, 2023Updated 3 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Apr 28, 2026Updated 3 weeks ago
- ☆114Oct 13, 2022Updated 3 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.
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 5 years ago
- Gromacs to Lammps simulation converter☆93Dec 9, 2023Updated 2 years ago
- 2017-09-26 Linux source copied from Sourceforge. This is **not** the development repository.☆24Dec 28, 2021Updated 4 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- This GitHub repository contains additional information supporting published manuscripts☆20Sep 9, 2024Updated last year
- ☆11Aug 30, 2020Updated 5 years ago
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆14Nov 15, 2023Updated 2 years ago
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.☆11May 28, 2022Updated 3 years ago
- NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.☆25May 3, 2025Updated last year
- Code for running NEMD simulation on LAMMPS and post-processing the results to compute viscosity☆17Aug 18, 2020Updated 5 years ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆30Oct 18, 2023Updated 2 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆44Apr 10, 2026Updated last month
- Packmol - Initial configurations for molecular dynamics simulations☆355Mar 30, 2026Updated last month
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆51May 7, 2026Updated 2 weeks ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆88Nov 9, 2021Updated 4 years ago
- Flow-matching for coarse graining of miniproteins.☆20Nov 18, 2022Updated 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.
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 5 years ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆21Feb 14, 2024Updated 2 years ago
- Deep Coarse-grained Potentials via Relative Entropy Minimization☆18Feb 22, 2023Updated 3 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago