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The corresponding repository for the written thesis on a Web-based Service for Training Data Generation in Trajectory-based Molecular Machine Learning.

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Bachelor Thesis in Computer Science

This repository holds the front-end, back-end, as well as performance testing files.

Thesis topic

Web-based service for training data generation in trajectory-based molecular machine learning

General Information

  • Name: Justin Morris
  • Major: Computer Science
  • University: Constructor University (Formally Jacobs University)
  • Thesis Submission: May 15th, 2023
  • Supervisor: Prof. Dr. Peter Zaspel

How to run

  1. Get Orca on your local machine

  2. Install dependencies for front-end and back-end

cd frontend/ && yarn install
cd backend/ && yarn install
  1. Set server configuration

  2. Build and start front-end server

cd frontend/ && yarn build && yarn start
  1. Start back-end server
cd backend/ && yarn dev

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The corresponding repository for the written thesis on a Web-based Service for Training Data Generation in Trajectory-based Molecular Machine Learning.

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