This repository contains a deep learning-based model designed for detecting atoms and bonds in molecular images. It can be used for various applications in molecular chemistry and image analysis.
Overview
The ABD-model is a YOLO-based deep learning model designed to detect atoms (e.g., C, O, H, N) and bond types (single, double, triple) in molecular structure images. The model can extract useful data from 2D molecular representations, aiding in further computational chemistry analysis.
Features
Atom Detection: Detects atoms like Carbon (C), Oxygen (O), Nitrogen (N), and Hydrogen (H) in molecular images.
Bond Detection: Identifies single, double, and triple bonds between atoms.
Versatility: Works with a wide variety of molecular structure images.
YOLO-based: Uses a YOLO (You Only Look Once) model for fast and accurate detection of atoms and bonds.
Open-source: Easy to integrate into your own projects and customize.
Requirements
To run this model, you need to install the following dependencies:
