☆20Oct 27, 2024Updated last year
Alternatives and similar repositories for HEA-ORR
Users that are interested in HEA-ORR are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Sep 22, 2021Updated 4 years ago
- ☆25Oct 11, 2021Updated 4 years ago
- ☆19Mar 15, 2023Updated 3 years ago
- ☆237Apr 26, 2024Updated 2 years ago
- My completed PhD Thesis on Understanding Crystal Growth☆14Jan 6, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- A toolkit for automatic calculation and analysis of elastic constants☆14Jun 11, 2025Updated 11 months ago
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated 11 months ago
- ☆14Nov 10, 2025Updated 6 months ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Apr 24, 2026Updated 3 weeks ago
- Battery aging modes across NMC☆13Oct 26, 2022Updated 3 years ago
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 4 years ago
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- 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.
- Computational tools for simulation of high-entropy alloy surfaces☆19Jun 17, 2025Updated 11 months ago
- Dendritic crystal growth simulation.☆24Oct 24, 2022Updated 3 years ago
- ☆53Dec 10, 2025Updated 5 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated 3 weeks ago
- A boundary detection algorithm in microscopic images considering 3D information.☆12Sep 19, 2018Updated 7 years ago
- SAGA: A Security Architecture for Governing AI Agentic Systems☆22May 5, 2026Updated 2 weeks ago
- Modules for generating nanoscale+ atomic scenes, primarily using pymatgen as generators with S/TEM image simulation in mind☆16Mar 5, 2025Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- Generate random alloys and compute various properties☆71May 12, 2026Updated last 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.
- Dealing with slabs for first principles calculations of surfaces☆68Sep 17, 2023Updated 2 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- Model Predictive Control for optimal battery operation☆18Aug 30, 2022Updated 3 years ago
- ☆82Apr 16, 2025Updated last year
- Comprehensive numerical modeling of filamentary RRAM devices including voltage ramp-rate and cycle-to-cycle variations☆24Apr 4, 2024Updated 2 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 5 months ago
- Useful scripts in Computaional Material Science.☆23Apr 13, 2026Updated last month
- Automatic Topological Generator for Framework Structures☆19Mar 20, 2018Updated 8 years 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.
- DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, function…☆35Updated this week
- This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…☆13Mar 16, 2023Updated 3 years ago
- Python package for predicting lithium-ion battery degradation using few cycles of usage.☆23Dec 8, 2022Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- A repository of codes for computational physics in Python.☆27Jan 15, 2023Updated 3 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆15Oct 17, 2020Updated 5 years ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆37May 12, 2026Updated last week