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Open Source Science

https://github.com/choderalab/drug-gym

Reinforcement learning environments for drug discovery

https://github.com/choderalab/drug-gym

Science Score: 13.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ○
    .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (6.7%) to scientific vocabulary

Keywords

drug-discovery reinforcement-learning
Last synced: 10 months ago · JSON representation

Repository

Reinforcement learning environments for drug discovery

Basic Info
  • Host: GitHub
  • Owner: choderalab
  • License: mit
  • Language: Jupyter Notebook
  • Default Branch: main
  • Homepage: https://drug-gym.org
  • Size: 153 MB
Statistics
  • Stars: 9
  • Watchers: 2
  • Forks: 1
  • Open Issues: 0
  • Releases: 0
Topics
drug-discovery reinforcement-learning
Created about 3 years ago · Last pushed about 2 years ago
Metadata Files
Readme License

README.md

DrugGym Logo

DrugGym is an open source Python library for creating and benchmarking reinforcement learning or other decision-making algorithms for autonomous small molecule drug discovery. It provides a standard API to communicate between learning algorithms and environments.

The key features are:

  • 🎯 TODO
    • TODO

Installation

TODO

Getting Started

TODO

API

TODO

Citation

To cite this project in publication, please use

TODO

Owner

  • Name: Chodera lab // Memorial Sloan Kettering Cancer Center
  • Login: choderalab
  • Kind: organization
  • Email: john.chodera@choderalab.org
  • Location: Memorial Sloan-Kettering Cancer Center, Manhattan, NY

GitHub Events

Total
  • Watch event: 4
  • Pull request review event: 2
  • Pull request review comment event: 2
  • Pull request event: 1
  • Fork event: 1
Last Year
  • Watch event: 4
  • Pull request review event: 2
  • Pull request review comment event: 2
  • Pull request event: 1
  • Fork event: 1

Dependencies

setup.py pypi
  • pandas *