☆31Feb 9, 2026Updated 2 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:
- ☆107Feb 23, 2026Updated last month
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Sep 28, 2020Updated 5 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆89Mar 6, 2026Updated last month
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆69Jan 6, 2026Updated 3 months ago
- scalable molecular simulation☆141Mar 30, 2026Updated 2 weeks 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.
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆58Apr 1, 2026Updated last week
- Parameterisation of Equivariant Properties of Particle Systems☆67Dec 17, 2024Updated last year
- ☆46Jan 29, 2026Updated 2 months ago
- A fully automated approach to determine the melting temperature of crystalline materials☆21Jul 23, 2024Updated last year
- MoDELib is the Mechanics of Defects Evolution Library, a c++ template library for computer simulations of defects in crystalline material…☆19Aug 21, 2023Updated 2 years ago
- ☆13Feb 3, 2026Updated 2 months ago
- A many-body extension of the FLARE code.☆38Feb 27, 2022Updated 4 years ago
- Code for automated fitting of machine learned interatomic potentials.☆142Mar 9, 2026Updated last month
- 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.
- ☆122Updated this week
- Robust NN MD simulator☆21Aug 3, 2023Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆89Mar 30, 2026Updated 2 weeks ago
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Oct 11, 2017Updated 8 years ago
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- Materials science with Python at the atomic-scale☆233Updated this week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Jun 27, 2024Updated last year
- Grand canonical optimization of grain boundary phases.☆33Apr 6, 2026Updated last week
- Zero Shot Molecular Generation via Similarity Kernels☆29Aug 27, 2025Updated 7 months ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- rime 有声调普通话拼音方案☆11Sep 16, 2020Updated 5 years ago
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆37Mar 6, 2026Updated last month
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆390Mar 31, 2026Updated last week
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Nov 6, 2024Updated last year
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 3 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Software package for spin dynamics☆13Mar 25, 2026Updated 2 weeks ago
- A LaTeX template for grant proposals to the DFG.☆28Feb 26, 2026Updated last month
- The core of the SEAMM environment and graphical interface.☆15Mar 19, 2026Updated 3 weeks ago
- More efficient and faster version of pyscal☆29Mar 2, 2026Updated last month
- Analyze correlations in lithium-ion diffusion trajectories☆11Apr 24, 2024Updated last year
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 4 years ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆17Nov 28, 2023Updated 2 years ago