A simple program to solve the Eyring Equation and first/second order kinetics.
☆21Jun 23, 2025Updated 8 months ago
Alternatives and similar repositories for Chemical_Kinetics_Calculator
Users that are interested in Chemical_Kinetics_Calculator are comparing it to the libraries listed below
Sorting:
- A tool to create pixel-accurate energy diagrams as ChemDraw object☆74Feb 2, 2025Updated last year
- Repository for the code and documentation of EveRplot☆13Jul 20, 2023Updated 2 years ago
- A collection of frequency scale factors from various sources.☆15Mar 15, 2023Updated 2 years ago
- A ready-to-use energy diagram drawing program☆12Nov 23, 2023Updated 2 years ago
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 3 years ago
- Automated Transition States Builder☆11Jun 1, 2023Updated 2 years ago
- VenomPred 2.0 API☆11Feb 4, 2026Updated last month
- The files used for the introductory python for chemistry worshop☆10Sep 23, 2023Updated 2 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- ☆11Oct 1, 2025Updated 5 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆37Jan 30, 2026Updated last month
- M e s t R e N o v a 1 2 . 0 Patch for Win/Mac and A D F 2 0 1 2 Patch for Win/Linux☆13Jul 21, 2025Updated 7 months ago
- Course repository for 06-623☆13Mar 31, 2020Updated 5 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 6 years ago
- ☆12Oct 9, 2024Updated last year
- A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.☆12Feb 1, 2024Updated 2 years ago
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- Spring 2017 Chemical and Reaction Engineering☆12May 9, 2017Updated 8 years ago
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆91Jun 1, 2023Updated 2 years ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆18May 3, 2024Updated last year
- NMR Chemical Shifts from Molecular Dynamics Simulation☆14Sep 17, 2021Updated 4 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- A build recipe for Multiwfn on MacOS☆43Jan 13, 2026Updated last month
- ☆17Apr 18, 2024Updated last year
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 5 years ago
- ☆13May 15, 2024Updated last year
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated last month
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- Miscellaneous IPython notebooks about chemical physics and science teaching.☆13Feb 11, 2025Updated last year
- A thermal rate constant calculator and kinetics Monte Carlo Simulator☆17Apr 12, 2024Updated last year
- References, presentations and other resources☆15Oct 31, 2023Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 6 years ago
- Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures…☆14Jan 28, 2024Updated 2 years ago
- ☆16Feb 10, 2023Updated 3 years ago
- ☆16Sep 30, 2024Updated last year
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- ☆18Jul 29, 2024Updated last year
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago