smiles

Open-source projects categorized as smiles
Edit details
Language: + Python + Jupyter Notebook
Topics: Chemistry Geometry graph-neural-network organic-chemistry Reactions
Power Real-Time Data Analytics at Scale
Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.
www.influxdata.com
featured

Top 3 smile Open-Source Projects

smiles

  • chemicalx

    A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

  • rxnmapper

    RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

  • Scout Monitoring

    Free Django app performance insights with Scout Monitoring. Get Scout setup in minutes, and let us sweat the small stuff. A couple lines in settings.py is all you need to start monitoring your apps. Sign up for our free tier today.

    Scout Monitoring logo

  • global-chem

    A Knowledge Graph of Common Chemical Names to their Molecular Definition

NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

Index

What are some of the best open-source smile projects? This list will help you:

Project Stars
1 chemicalx 701
2 rxnmapper 270
3 global-chem 144

Sponsored
Free Django app performance insights with Scout Monitoring
Get Scout setup in minutes, and let us sweat the small stuff. A couple lines in settings.py is all you need to start monitoring your apps. Sign up for our free tier today.
www.scoutapm.com