Skip to main content

Medchem: Molecular filtering for drug discovery.

Project description

Medchem - Molecular filtering for drug discovery


PyPI Conda PyPI - Downloads Conda PyPI - Python Version license GitHub Repo stars GitHub Repo stars test release code-check doc

Medchem is a Python library that proposes multiple molecular medchem filters to a wide range of use cases relevant in a drug discovery context.

Installation

micromamba install -c conda-forge medchem

# or using pip
pip install medchem

Documentation

Visit https://medchem-docs.datamol.io/.

Development lifecycle

Setup dev environment

micromamba create -n medchem -f env.yml
micromamba activate medchem

pip install --no-deps -e .

Tests

You can run tests locally with:

pytest

License

Under the Apache-2.0 license. See LICENSE.md.

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

medchem-2.0.4.tar.gz (1.3 MB view hashes)

Uploaded Source

Built Distribution

medchem-2.0.4-py3-none-any.whl (412.4 kB view hashes)

Uploaded Python 3

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page