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项目作者： joeym-09

项目描述 ：
💊 ML Pipeline for Drug Discovery | 🏆 Microsoft Imagine Cup Americas Finalist 2020
高级语言： Jupyter Notebook
项目地址: git://github.com/joeym-09/Synbiolic.git
创建时间： 2020-08-31T03:34:42Z
项目社区：https://github.com/joeym-09/Synbiolic
开源协议：MIT License
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Synbiolic Platform - Unlocking Drug Discovery with AI

Microsoft Imagine Cup Americas Regional Finalist & Runner-Up (Top 5 of 28000)

End-to-end ML pipeline for drug discovery from generating novel small molecules with desired effects to predicting the synthesis (retrosynthesis) pathways of those generated molecules.

Check out Synbiolic’s Content

Media

Download Repo

Clone the repository:

  1. git clone https://github.com/joeym-09/Synbiolic.git
  2. cd synbiolic

To run Synbiolic:

  1. npm install
  2. cd client
  3. npm install
  4. cd ../
  5. npm run dev

Walkthrough

Landing Page

Landing page

User onboarding

User onboarding

Generate Molecules

Generate Molecules

  • The number of recommended molecules to generate is 20-50 (for demo purposes).
  • It will then take you to all the generated molecules - where you can view the molecules and the plc-50 distribution
  • You can save any of the molecules and click on them to bring up the retrosynthesis pathway
  • The retrosynthesis pathway will have more details about the molecule itself

View saved molecules

Saved Molecules

View Retrosynthesis Requests

Retrosynthesis Requests

Contributors to Synbiolic

References