https://github.com/opendatastudio/bindfit
Python binding constant fitting library
https://github.com/opendatastudio/bindfit
bindfit binding-constant fitting-algorithm
Last synced: 5 months ago
JSON representation
Python binding constant fitting library
- Host: GitHub
- URL: https://github.com/opendatastudio/bindfit
- Owner: opendatastudio
- Created: 2023-05-19T02:10:22.000Z (over 2 years ago)
- Default Branch: main
- Last Pushed: 2025-01-21T04:03:19.000Z (11 months ago)
- Last Synced: 2025-02-11T18:23:27.584Z (10 months ago)
- Topics: bindfit, binding-constant, fitting-algorithm
- Language: Python
- Homepage: http://app.supramolecular.org/bindfit/
- Size: 509 KB
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 5
-
Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
# Bindfit: A binding constant fitting library for Python
## Development environment setup with venv
```
# Create and activate venv
python -m venv .venv
source .venv/bin/activate
# Install requirements
./install_dev_requirements.sh
# Set up pre-commit pipeline
pre-commit install
pre-commit run
```
## Development environment setup with Flake
```
direnv allow
```
### Deploying to PyPI
```bash
python -m venv .venv
source .venv/bin/activate
pip install --upgrade build twine
python -m build # Generate distribution archives
python -m twine upload --repository pypi dist/* # Upload distribution archives
```