Geom Pipeline

Authors: James Bannon, Michael Tran

Contact: bhklab.jamesbannon@gmail.com

Description: Pipeline to process the 3D structures from the GEOM database

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Set Up

Prerequisites

Pixi is required to run this project. If you haven't installed it yet, follow these instructions

Installation

  1. Clone this repository to your local machine
  2. Navigate to the project directory
  3. Set up the environment using Pixi:
pixi install

Documentation

Click here to view the full documentation.