Metadata-Version: 2.1
Name: conformer-rl
Version: 1.0.0
Summary: Deep Reinforcement Library for Conformer Generation
Home-page: https://github.com/ZimmermanGroup/conformer-rl
Author: Runxuan Jiang
Author-email: runxuanj@umich.edu
License: MIT
Requires-Python: >=3.7
Description-Content-Type: text/markdown
Provides-Extra: dev
Provides-Extra: generate_molecules
Provides-Extra: visualization
License-File: LICENSE

# conformer-rl
An open-source deep reinforcement learning library for conformer generation.

[![Documentation Status](https://readthedocs.org/projects/conformer-rl/badge/?version=latest)](https://conformer-rl.readthedocs.io/en/latest/?badge=latest)
[![PyPI version](https://badge.fury.io/py/conformer-rl.svg)](https://badge.fury.io/py/conformer-rl)

## Documentation
Documentation can be found at https://conformer-rl.readthedocs.io/.

## Platform Support
Since conformer-rl can be run within a Conda environment, it should work on all platforms (Windows, MacOS, Linux).

## Installation and Quick Start
Please see the documentation for [installation instructions](https://conformer-rl.readthedocs.io/en/latest/tutorial/install.html) and [getting started](https://conformer-rl.readthedocs.io/en/latest/tutorial/getting_started.html).

## Issues and Feature Requests
We are actively adding new features to this project and are open to all suggestions. If you believe you have encountered a bug, or if you have a feature that you would like to see implemented, please feel free to file an [issue](https://github.com/ZimmermanGroup/conformer-rl/issues).

## Developer Documentation
Pull requests are always welcome for suggestions to improve the code or to add additional features. We encourage new developers to document new features and write unit tests (if applicable). For more information on writing documentation and unit tests, see the [developer documentation](https://conformer-rl.readthedocs.io/en/latest/developer.html).
