Metadata-Version: 2.4
Name: qsarmil
Version: 1.0.0
Summary: Molecular multi-instance machine learning
Author-email: Dmitry Zankov <dvzankov@gmail.com>
License: MIT
Description-Content-Type: text/x-rst
License-File: LICENSE
Requires-Dist: mikit-learn
Requires-Dist: rdkit
Requires-Dist: molfeat
Requires-Dist: py3Dmol
Requires-Dist: tqdm
Requires-Dist: huggingface_hub
Dynamic: license-file


QSARmil - molecular multi-instance machine learning
============================================================
``QSARmil`` is a package for designing pipelines for building QSAR models with multi-instance machine learning algorithms.

Introduction
------------
Multi-instance machine learning for molecules.

Installation
------------

.. code-block:: bash

    pip install qsarmil

Quick start
------------

See the examples of ``QSARmil`` application for different tasks in the `tutorial collection <notebooks>`_ .
