A Python package to perform a chemical motif characterization of short-range order.
☆26Jul 19, 2025Updated 9 months ago
Alternatives and similar repositories for ChemicalMotifIdentifier
Users that are interested in ChemicalMotifIdentifier 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
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆30Jan 30, 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
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆43Apr 9, 2026Updated 3 weeks ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆39Feb 10, 2026Updated 2 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.
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆65Apr 26, 2026Updated last week
- Visualization library to work with the paraDIS dislocation dynamics code☆13Sep 27, 2018Updated 7 years ago
- A Python library and command line interface for automated free energy calculations☆89Updated this week
- A RL framework for Crystal Structure Generation using GRPO☆43Feb 8, 2026Updated 2 months ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆11Feb 4, 2026Updated 3 months ago
- ☆96May 10, 2025Updated 11 months ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆34Jan 16, 2026Updated 3 months ago
- 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.☆39Mar 27, 2026Updated last month
- 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.
- Library for Crystal Symmetry in Rust☆71Updated this week
- Codes for translating structural defects to atomic properties☆15Sep 12, 2022Updated 3 years ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆73Feb 21, 2025Updated last year
- Unsupervised learning of structure in systems of interacting particles.☆13Nov 13, 2023Updated 2 years ago
- Strain gradient plasticity code for Abaqus☆18Jul 27, 2022Updated 3 years ago
- ☆56Feb 2, 2026Updated 3 months ago
- ☆13Mar 13, 2024Updated 2 years ago
- ☆27Mar 3, 2024Updated 2 years ago
- Compute neighbor lists for atomistic systems☆79Apr 24, 2026Updated last week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆31Sep 2, 2025Updated 8 months ago
- ☆23Jul 25, 2021Updated 4 years ago
- A text-guided diffusion model for crystal structure generation☆78May 30, 2025Updated 11 months ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆211Apr 17, 2026Updated 2 weeks ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆380Feb 19, 2026Updated 2 months ago
- Descriptors (isometry invariants) of crystals based on geometry.☆39Nov 17, 2025Updated 5 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- NanoMine Nanocomposites Data Resource (master branch is production)☆20May 1, 2023Updated 3 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- 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.
- ☆19Oct 8, 2020Updated 5 years ago
- Weapon detection system for Youtube tutorial☆19Mar 4, 2021Updated 5 years ago
- DeepSPIN method for deep learning potential of magnetic systems☆18Jun 4, 2023Updated 2 years ago
- ParaDiS (Parallel Dislocation Simulator) is a massively parallel Discrete Dislocation Dynamics simulation tool to simulate motion and int…☆65Oct 21, 2024Updated last year
- ☆14Apr 26, 2018Updated 8 years ago
- Generate random alloys and compute various properties☆70Apr 12, 2026Updated 3 weeks ago
- GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)☆31Updated this week