Kokkos implementation of the MTP in LAMMPS for GPU acceleration
☆17Nov 21, 2025Updated 9 months ago
Alternatives and similar repositories for lammps-mtp-kokkos
Users that are interested in lammps-mtp-kokkos are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆17Updated this week
- ☆17Jul 23, 2026Updated last month
- DFT dataset and machine learning models for high entropy alloys☆33Apr 19, 2024Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆13Aug 6, 2026Updated 3 weeks ago
- Examples and utilities for molecular dynamics simulations☆17May 18, 2026Updated 3 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 3 months ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆40May 15, 2026Updated 3 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆28Jul 15, 2026Updated last month
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- ☆15Feb 17, 2025Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 10 months ago
- Machine Learned Interatomic Potential Tools☆25Updated this week
- ☆18Feb 26, 2026Updated 6 months ago
- ☆14Dec 14, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- VSCODE extension for language support of LAMMPS scripts☆58Aug 20, 2026Updated last week
- This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural…☆22Oct 29, 2023Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆23Aug 6, 2026Updated 3 weeks ago
- Generator of polynomial machine learning potentials☆22Updated this week
- MATLAB and Python code for generating 2D and 3D synthetic polycrystalline microstructures using Laguerre tessellations.☆18Nov 28, 2025Updated 9 months ago
- A flexible and performant framework for training machine learning potentials.☆37Updated this week
- Python library written in C++ for calculation of local atomic structural environment☆70Apr 30, 2026Updated 3 months ago
- A Vectorized Implementation of the Tersoff Potential for the LAMMPS Molecular Dynamics Software☆13Nov 14, 2017Updated 8 years ago
- ☆17Apr 22, 2025Updated last year
- 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.
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 6 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- Collection of tutorials to use the MACE machine learning force field.☆71Jul 13, 2026Updated last month
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆21Jun 14, 2026Updated 2 months ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 6 months ago
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆34May 4, 2026Updated 3 months 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.
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26Jul 31, 2026Updated 3 weeks ago
- More efficient and faster version of pyscal☆31May 1, 2026Updated 3 months ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Software for generating machine-learning interatomic potentials for LAMMPS☆189Oct 17, 2025Updated 10 months ago
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆48Apr 10, 2026Updated 4 months ago
- A Python library and command line interface for automated free energy calculations☆94Aug 8, 2026Updated 3 weeks ago