A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.
☆15Apr 24, 2026Updated 2 months ago
Alternatives and similar repositories for mikimo
Users that are interested in mikimo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 7 months ago
- ASE interface for fully constant potential with VASP☆45Oct 14, 2024Updated last year
- Chemical intuition for surface science in a package.☆61May 8, 2026Updated last month
- A simple X11 molecular viewer☆25Mar 22, 2026Updated 3 months 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 Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.☆84May 8, 2021Updated 5 years ago
- ☆13Mar 11, 2026Updated 3 months ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- ☆32Jan 4, 2026Updated 5 months ago
- ☆22Aug 31, 2020Updated 5 years ago
- Tutorials for using the pymatgen library☆80May 27, 2025Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆49Jan 21, 2026Updated 5 months 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.
- ☆24Nov 10, 2020Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- Quick Reaction Coordinate: normal mode displacement of transition structures☆44Jun 11, 2026Updated 2 weeks ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Updated this week
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- ☆30Mar 20, 2026Updated 3 months ago
- 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
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆14Nov 15, 2023Updated 2 years ago
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16May 15, 2026Updated last month
- ☆15Feb 5, 2025Updated last year
- Code complementing the report "Simulating Raman spectra: A CP2K-based implementation and its application to defective graphene nanoribbon…☆12Sep 12, 2020Updated 5 years ago
- ☆70Oct 8, 2024Updated last year
- Modeling and Crystallographic Utilities☆52May 23, 2023Updated 3 years ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆13Jun 6, 2026Updated 3 weeks ago
- ☆36Mar 26, 2026Updated 3 months 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 package for plotting and manipulating 1D spectra☆12Jul 30, 2024Updated last year
- Chemical Data Science and Engineering - University of Toronto☆24Nov 21, 2025Updated 7 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Jun 24, 2026Updated last week
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- ☆18Jul 29, 2024Updated last year