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https://github.com/ZimmermanGroup/pyGSM
Thermal and photochemical reaction path optimization and discovery
https://github.com/ZimmermanGroup/pyGSM
Last synced: about 2 months ago
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Thermal and photochemical reaction path optimization and discovery
- Host: GitHub
- URL: https://github.com/ZimmermanGroup/pyGSM
- Owner: ZimmermanGroup
- License: mit
- Created: 2018-10-10T01:01:17.000Z (almost 6 years ago)
- Default Branch: master
- Last Pushed: 2024-05-11T01:17:25.000Z (5 months ago)
- Last Synced: 2024-08-01T17:27:43.736Z (about 2 months ago)
- Language: Python
- Homepage:
- Size: 3.66 MB
- Stars: 50
- Watchers: 13
- Forks: 26
- Open Issues: 28
-
Metadata Files:
- Readme: README.md
- Contributing: .github/CONTRIBUTING.md
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
Awesome Lists containing this project
README
pyGSM
==============================
[//]: # (Badges)
[![GitHub Actions Build Status](https://github.com/ZimmermanGroup/pyGSM/workflows/CI/badge.svg)](https://github.com/ZimmermanGroup/pyGSM/actions?query=workflow%3ACI)
[![codecov](https://codecov.io/gh/ZimmermanGroup/pyGSM/branch/master/graph/badge.svg)](https://codecov.io/gh/ZimmermanGroup/pyGSM/branch/master)Reaction path and photochemistry tool
## Documentation
See https://zimmermangroup.github.io/pyGSM/## Install instructions
pyGSM can be installed by setting up a python environment (e.g. venv, conda), cloning the GitHub repository, and installing with pip. From the root directory in the git repository, this would look like:
```
pip install -e .
```