Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
☆62Jul 2, 2025Updated last year
Alternatives and similar repositories for lammps
Users that are interested in lammps 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 Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆413Sep 15, 2026Updated last month
- A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt ca…☆16Jul 12, 2024Updated 2 years ago
- A python library for calculating materials properties from the PES☆157Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 3 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Ab initio simulator for thermal transport and lattice anharmonicity☆208Oct 14, 2026Updated 2 weeks ago
- electrostatic model sandbox based on the MACE MLIP architecture☆40Oct 24, 2026Updated last week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆331Apr 7, 2025Updated last year
- A streamlit web application for running PyFock interactively on the web or your own PC.☆15Sep 15, 2026Updated last month
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆79Feb 28, 2024Updated 2 years ago
- MACE_Osaka24 models☆30Apr 15, 2026Updated 6 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆285Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆258Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆277Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Diffusion Structure Search☆10Jan 9, 2025Updated last year
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- ☆79Jun 17, 2026Updated 4 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆467Oct 26, 2026Updated last week
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆14Oct 19, 2026Updated last week
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆88Updated this week
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆10Feb 26, 2025Updated last year
- A modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflo…☆29Oct 5, 2026Updated 3 weeks ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆109Oct 21, 2026Updated last week
- 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.
- Python interface for the zeo++ package☆19Jun 25, 2026Updated 4 months ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆24Aug 27, 2024Updated 2 years ago
- VibroML: Machine-Learning Vibrational Analysis & Stability☆11Oct 26, 2026Updated last week
- Thermodynamic Phase Diagram Generator☆61Mar 5, 2022Updated 4 years ago
- Band structure unfolding made easy!☆70Jul 6, 2026Updated 3 months ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆169Sep 25, 2026Updated last month
- ☆49Jul 6, 2018Updated 8 years ago
- A foundational potential energy dataset for materials☆61Updated this week
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- 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.
- Python module for drawing and rendering beautiful atoms and molecules using Blender.☆200Dec 9, 2025Updated 10 months ago
- ☆22Jul 3, 2026Updated 3 months ago
- Python toolkit for molecular dynamics analysis☆50Oct 19, 2026Updated 2 weeks ago
- ☆22Oct 13, 2026Updated 2 weeks ago
- ☆82Oct 8, 2024Updated 2 years ago
- ☆10Dec 27, 2018Updated 7 years ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago