☆18Sep 22, 2021Updated 4 years ago
Alternatives and similar repositories for CN-related-SACs
Users that are interested in CN-related-SACs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆25Oct 11, 2021Updated 4 years ago
- ☆19Mar 15, 2023Updated 3 years ago
- ☆20Oct 27, 2024Updated last year
- ☆237Apr 26, 2024Updated last year
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- My completed PhD Thesis on Understanding Crystal Growth☆14Jan 6, 2023Updated 3 years ago
- 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 9 months ago
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated 10 months ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Oct 31, 2025Updated 5 months ago
- Battery aging modes across NMC☆12Oct 26, 2022Updated 3 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
- Dendritic crystal growth simulation.☆23Oct 24, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Sep 13, 2025Updated 6 months ago
- ☆53Dec 10, 2025Updated 3 months ago
- SAGA: A Security Architecture for Governing AI Agentic Systems☆19Feb 17, 2026Updated last month
- 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
- DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, function…☆31Mar 27, 2026Updated last week
- This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…☆10Mar 16, 2023Updated 3 years ago
- Electron Density Plotter☆40Feb 6, 2025Updated last year
- 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
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- All the handy little scripts for cheminformatics related projects☆35Feb 10, 2023Updated 3 years ago
- 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
- 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 4 months ago
- Useful scripts in Computaional Material Science.☆20Apr 2, 2026Updated last week
- Python package for predicting lithium-ion battery degradation using few cycles of usage.☆22Dec 8, 2022Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆15Oct 17, 2020Updated 5 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Plugin for Blender software allowing the representation of cristallographic structures stored in CIF files.☆21Dec 22, 2023Updated 2 years ago
- Various .m files of code in MATLAB® for automating COMSOL Multiphysics®☆27Oct 2, 2019Updated 6 years ago
- ASE interface for fully constant potential with VASP☆42Oct 14, 2024Updated last year
- A widget to visualize and edit atomic structures in Jupyter Notebook☆47Feb 20, 2026Updated last month
- gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…☆29Feb 4, 2026Updated 2 months ago
- MoS2 FET Simulation using COMSOL Multiphysics☆33Jul 23, 2020Updated 5 years ago
- Python Environment for Reaction Mechanisms/Mathematics provides dynamic analysis tools for evaluating chemical networks easily.☆19Nov 27, 2020Updated 5 years ago