Pykinetic is a project that aims to facilitate the automation and generation of kinetic and microkinetic models. Pykinetic acts as an intermediate layer between the user and the mathematical model that is then simulated to obtain the kinetic data. It provides a python-based API as well as command-line scripts for generating the model.
☆12Jun 4, 2025Updated 9 months ago
Alternatives and similar repositories for pykinetic
Users that are interested in pykinetic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- rNets: A standalone package to visualize reaction networks☆16Oct 18, 2024Updated last year
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆68Mar 19, 2026Updated last week
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆12Oct 24, 2025Updated 5 months ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- ☆19Apr 29, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Code repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions☆23Nov 12, 2024Updated last year
- The architector python package - for 3D metal complex design. C22085☆83Feb 14, 2026Updated last month
- Create atomistic structures with ASE, rdkit and packmol☆24Mar 16, 2026Updated last week
- Multimodal aid for mining of chemical reactions from PDFs☆36Jun 25, 2025Updated 9 months ago
- A template for NIH style grants in Latex☆12Jan 16, 2017Updated 9 years ago
- Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations☆69Feb 28, 2025Updated last year
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- ☆21Dec 1, 2025Updated 3 months ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆123Mar 20, 2026Updated last week
- ☆29Nov 4, 2024Updated last year
- QM-based enzyme model generation and validation.☆15Feb 11, 2026Updated last month
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆30Oct 30, 2022Updated 3 years ago
- ☆10Feb 26, 2024Updated 2 years ago
- Ray tracer in pure Make☆12Nov 25, 2021Updated 4 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 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.
- ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.☆62Jan 26, 2026Updated 2 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- A reverse-engineered reimplementation of Sleeping Dogs: Definitive Edition (Engine)☆18Mar 12, 2026Updated 2 weeks ago
- Automated Complex Generator☆14Dec 16, 2024Updated last year
- Pure Python 3 MTProto API Telegram client library, for bots too!☆11Mar 3, 2025Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated last year
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 3 years ago
- Automated Monte Carlo Conformational Searching with Python☆17Nov 26, 2020Updated 5 years ago
- Orbital viewer (mirror of https://gitlab.com/Jellby/Pegamoid)☆17Oct 1, 2025Updated 5 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆12Feb 13, 2024Updated 2 years ago
- ☆13Oct 9, 2025Updated 5 months ago
- Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of co…☆19Feb 10, 2026Updated last month
- ☆60Oct 9, 2025Updated 5 months ago
- ☆15Mar 3, 2026Updated 3 weeks ago
- A codebase for classical molecular dynamics (MD) simulation setup and results analysis.☆26Feb 5, 2024Updated 2 years ago
- Library for calculating exact ligand cone angles☆14Aug 21, 2022Updated 3 years ago