OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
☆31Jan 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.☆46Apr 1, 2025Updated last year
- 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.☆26Jul 19, 2025Updated 10 months ago
- Library for Crystal Symmetry in Rust☆73May 18, 2026Updated last week
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆42Feb 10, 2026Updated 3 months ago
- AI Agents on 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.
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆36May 18, 2026Updated last week
- 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
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆67Apr 26, 2026Updated last month
- 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 …☆16Apr 24, 2026Updated last month
- A Python library and command line interface for automated free energy calculations☆92Updated this 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.☆39May 15, 2026Updated last week
- A foundational potential energy dataset for materials☆56May 19, 2026Updated last week
- Generate random alloys and compute various properties☆71Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Descriptors (isometry invariants) of crystals based on geometry.☆39Nov 17, 2025Updated 6 months ago
- Compute neighbor lists for atomistic systems☆80Updated this week
- ☆24Jul 25, 2021Updated 4 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 7 months ago
- Richard Skelton's code for dislocations☆12Jan 23, 2019Updated 7 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆40Jun 30, 2020Updated 5 years ago
- ☆14Apr 26, 2018Updated 8 years ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆100Apr 16, 2026Updated last month
- ☆20May 7, 2024Updated 2 years 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 graph database tool for experimental data in materials science and chemistry.☆21Jan 7, 2025Updated last year
- ☆12Apr 14, 2026Updated last month
- ☆49May 3, 2026Updated 3 weeks ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated 3 months ago
- 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…☆66Oct 21, 2024Updated last year
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆43May 18, 2026Updated last week
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Mar 14, 2026Updated 2 months ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Atomistic Manipulation Toolkit☆96Aug 4, 2025Updated 9 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 9 months ago
- ☆24Dec 11, 2024Updated last year
- 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
- ☆19May 20, 2025Updated last year
- Materials science with Python at the atomic-scale☆235Updated this week