OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
☆29Jan 30, 2025Updated last year
Alternatives and similar repositories for AtomisticReverseMonteCarlo
Users that are interested in AtomisticReverseMonteCarlo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OVITO Python modifier to compute the Warren-Cowley parameters.☆43Apr 1, 2025Updated 11 months ago
- A python package that allows easy sbatch job script creation and submissions on hpc clusters, directly from python.☆10Aug 11, 2023Updated 2 years ago
- A Python package to perform a chemical motif characterization of short-range order.☆25Jul 19, 2025Updated 8 months ago
- Library for Crystal Symmetry in Rust☆70Updated this week
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆35Feb 10, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆32Mar 16, 2026Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆61Nov 7, 2025Updated 4 months ago
- 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
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Oct 31, 2025Updated 4 months ago
- A Python library and command line interface for automated free energy calculations☆88Mar 19, 2026Updated last week
- 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.☆38Dec 23, 2025Updated 3 months ago
- A foundational potential energy dataset for materials☆53Mar 2, 2026Updated 3 weeks ago
- Generate random alloys and compute various properties☆67Jan 29, 2026Updated last month
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Descriptors (isometry invariants) of crystals based on geometry.☆38Nov 17, 2025Updated 4 months ago
- Compute neighbor lists for atomistic systems☆74Mar 10, 2026Updated 2 weeks ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- ☆22Jul 25, 2021Updated 4 years ago
- Richard Skelton's code for dislocations☆11Jan 23, 2019Updated 7 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆38Jun 30, 2020Updated 5 years ago
- ☆14Apr 26, 2018Updated 7 years ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆92Updated this week
- ☆20May 7, 2024Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- ☆45Updated this week
- ☆12Mar 6, 2026Updated 3 weeks ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- ParaDiS (Parallel Dislocation Simulator) is a massively parallel Discrete Dislocation Dynamics simulation tool to simulate motion and int…☆64Oct 21, 2024Updated last year
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆41Mar 18, 2026Updated last week
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Mar 14, 2026Updated last week
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Atomistic Manipulation Toolkit☆95Aug 4, 2025Updated 7 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 7 months ago
- ☆21Dec 11, 2024Updated last year
- ☆18May 20, 2025Updated 10 months ago
- Visualization library to work with the paraDIS dislocation dynamics code☆13Sep 27, 2018Updated 7 years ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Materials science with Python at the atomic-scale☆233Mar 18, 2026Updated last week