Medchem: Molecular filtering for drug discovery.
Project description
Medchem - Molecular filtering for drug discovery
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.
Project details
Release history Release notifications | RSS feed
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)
Built Distribution
medchem-2.0.4-py3-none-any.whl
(412.4 kB
view hashes)