Tutorials related to GPUMD
☆93Apr 18, 2026Updated last week
Alternatives and similar repositories for GPUMD-Tutorials
Users that are interested in GPUMD-Tutorials 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 Toolkit for GPUMD&NEP☆136Updated this week
- Graphics Processing Units Molecular Dynamics☆761Updated this week
- Material structure processing software based on ASE (Atomic Simulation Environment)☆73Feb 25, 2026Updated 2 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆36Jan 6, 2026Updated 3 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆119Apr 3, 2026Updated 3 weeks 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.
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated 10 months ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- Phonons from ML force fields☆23Mar 22, 2026Updated last month
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆25Dec 17, 2025Updated 4 months ago
- Some scripts for gpumd and nep☆70Updated this week
- ☆14Apr 9, 2025Updated last year
- CPU version of NEP☆93Mar 4, 2026Updated last month
- ☆13Dec 14, 2024Updated last year
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated 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.
- Sample codes for my book on molecular dynamics simulation☆288Jan 26, 2026Updated 3 months ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆55Apr 22, 2026Updated last week
- Some examples of GPUMD☆24May 15, 2024Updated last year
- Deep Potential Evolution Accelerator☆27Apr 7, 2026Updated 3 weeks ago
- ☆19May 30, 2019Updated 6 years ago
- Anharmonic Lattice Dynamics☆183Updated this week
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Apr 11, 2026Updated 2 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated 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
- TDEP Tutorials☆37Jun 1, 2025Updated 11 months ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆46Jan 16, 2026Updated 3 months ago
- ☆11Dec 19, 2016Updated 9 years ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆98Sep 20, 2025Updated 7 months ago
- Reproduction of CGCNN for predicting material properties☆27Apr 6, 2026Updated 3 weeks ago
- This GitHub repository contains additional information supporting published manuscripts☆20Sep 9, 2024Updated 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.
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆38Mar 9, 2026Updated last month
- A Rust reimplementation of PyMOL molecular visualization☆109Apr 16, 2026Updated 2 weeks ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 8 months ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- Export Eigenvectors from Phonopy format to VESTA☆52Dec 24, 2024Updated last year
- A universal ML model to predict molecular dynamics trajectories with long time steps☆46Apr 22, 2026Updated last week