Object-oriented microkinetic modeling package using ASE
☆21Oct 11, 2026Updated 3 weeks ago
Alternatives and similar repositories for micki
Users that are interested in micki are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆128Oct 8, 2024Updated 2 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆43Updated this week
- ☆22Nov 29, 2021Updated 4 years ago
- Opensource software to model heterogeneous catalytic reactions. Based on Cantera☆21Jan 18, 2024Updated 2 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆14Oct 27, 2015Updated 11 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.
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆48Jul 13, 2025Updated last year
- ☆24Dec 10, 2024Updated last year
- ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.☆65Oct 26, 2026Updated last week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- Automated DFT Input File Generator using wxDragon☆16Sep 21, 2023Updated 3 years ago
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆12Jul 6, 2026Updated 3 months ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- ☆68Oct 9, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Library for Bayesian error estimation functionals for use in density functional theory codes☆29Mar 5, 2023Updated 3 years ago
- ☆40Oct 8, 2019Updated 7 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- A SKOS Vocabulary for the Catalysis Disciplines by NFDI4Cat & Friends☆17Updated this week
- rNets: A standalone package to visualize reaction networks☆17Oct 18, 2024Updated 2 years ago
- ☆10Jun 7, 2023Updated 3 years ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated 2 years ago
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆13Oct 19, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Python interface for the zeo++ package☆19Jun 25, 2026Updated 4 months ago
- Chemoinformatics toolkit with support for inorganic molecules☆48Oct 9, 2025Updated last year
- ☆18Jul 29, 2024Updated 2 years ago
- Prediction of reaction free energies with machine learning☆10Sep 28, 2021Updated 5 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆14Oct 19, 2026Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- Partial least squares regression☆10May 13, 2025Updated last year
- Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.☆14Feb 23, 2026Updated 8 months ago
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆10Feb 26, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆26Oct 27, 2023Updated 3 years ago
- A package for quantum-classical modeling.☆16Oct 24, 2026Updated last week
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆33Feb 14, 2025Updated last year
- Atomic interaction potentials based on artificial neural networks☆129Oct 11, 2026Updated 3 weeks ago
- High-throughput DFT of MOFs using ASE/VASP☆32May 22, 2023Updated 3 years ago