☆34Feb 9, 2026Updated 8 months ago
Alternatives and similar repositories for lammps-user-pace
Users that are interested in lammps-user-pace are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆115Sep 4, 2026Updated last month
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 6 years ago
- Free energy barriers with LAMMPS☆13May 28, 2026Updated 5 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆106Oct 17, 2026Updated 2 weeks ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆79Updated 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.
- IANN (InterAtomic Neural Network) framework is an equivariant interatomic neural network potential framework package☆18Sep 23, 2026Updated last month
- A fully automated approach to determine the melting temperature of crystalline materials☆22Sep 21, 2026Updated last month
- Quick Uncertainty and Entropy via STructural Similarity☆68Apr 1, 2026Updated 6 months ago
- ☆49Jul 5, 2026Updated 3 months ago
- ☆15Sep 22, 2026Updated last month
- Atomic Cluster Expansion for Modelling Invariant Atomic Properties☆24Apr 15, 2025Updated last year
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆34Jun 18, 2026Updated 4 months ago
- scalable molecular simulation☆144Apr 28, 2026Updated 6 months ago
- ☆10Sep 19, 2023Updated 3 years ago
- 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.
- Minimum energy path tools for atomistic simulations☆11Jul 21, 2026Updated 3 months ago
- Parameterisation of Equivariant Properties of Particle Systems☆67Dec 17, 2024Updated last year
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Python library written in C++ for calculation of local atomic structural environment☆70Apr 30, 2026Updated 6 months ago
- Tools and python module to assist in tabulation of pair and EAM potentials for atomistic simulation.☆13Dec 22, 2022Updated 3 years ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆40Jun 30, 2020Updated 6 years ago
- MoDELib is the Mechanics of Defects Evolution Library, a c++ template library for computer simulations of defects in crystalline material…☆22Aug 21, 2023Updated 3 years ago
- A many-body extension of the FLARE code.☆39Feb 27, 2022Updated 4 years ago
- 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 Python library and command line interface for automated free energy calculations☆95Oct 11, 2026Updated 2 weeks ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago
- CMSO - Computational Material Sample Ontology☆12Dec 4, 2025Updated 10 months ago
- Materials science with Python at the atomic-scale☆249Updated this week
- Cross-platform Optimizer for ML Interatomic Potentials☆25Aug 31, 2025Updated last year
- ☆17May 12, 2025Updated last year
- ☆142May 3, 2026Updated 5 months ago
- A tool for finding optimized SQS structures tool written in C++☆80Oct 23, 2026Updated last week
- rime 有声调普通话拼音方案☆11Sep 16, 2020Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Efficient and easy to use fortran implementation of the Ewald summation method☆19Jun 27, 2023Updated 3 years ago
- Code for automated fitting of machine learned interatomic potentials.☆164Updated this week
- Robust NN MD simulator☆21Aug 3, 2023Updated 3 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆189Oct 17, 2025Updated last year
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Oct 11, 2017Updated 9 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆404Aug 22, 2026Updated 2 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆159Jun 27, 2024Updated 2 years ago