https://github.com/christianparsons98/scml

https://github.com/christianparsons98/scml

Science Score: 26.0%

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Repository

Basic Info
  • Host: GitHub
  • Owner: ChristianParsons98
  • Language: Jupyter Notebook
  • Default Branch: main
  • Size: 3.69 MB
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  • Stars: 0
  • Watchers: 1
  • Forks: 0
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Created over 2 years ago · Last pushed about 1 year ago
Metadata Files
Readme

README.md

SCML: Superconductor Classification with Machine Learning

This repository provides a machine learning pipeline for classifying and predicting the critical temperature ((T_c)) of superconducting materials using a dataset of experimentally verified superconductors.

🧪 Description

This project supports research into data-driven discovery and analysis of superconducting materials. It applies classical machine learning models to predict whether a given material is a high-(Tc) or low-(Tc) superconductor, using features derived from elemental and structural properties.

The code is designed for researchers interested in applying machine learning to materials science, especially for accelerating discovery in superconductivity.

🔧 Techniques Used

  • Support Vector Classification (SVC): Used to classify materials as high-(Tc) or low-(Tc).
  • Principal Component Analysis (PCA): For dimensionality reduction and visualization of material feature space.
  • Random Forests and Decision Trees: For baseline comparison and feature importance analysis.
  • Custom Feature Engineering: Elemental statistics (e.g., average atomic number, electronegativity, etc.) are computed for compound-level prediction.

📦 Libraries and Tools

📁 Project Structure

plaintext . ├── Data/ ├── Figures/ ├── SCML_Classification.ipynb ├── SCML_Visualization.ipynb └── README.md

Notable Directories

  • Data/: Dataset of superconducting materials, including chemical composition and critical temperature.
  • Figures/: Visual output from classification models, including confusion matrices and decision boundaries.

🔬 Context

This repo is part of an ongoing effort to explore structure–property relationships in superconductors using data-centric methods. It complements symbolic and physics-informed ML approaches under development for discovering interpretable predictors of superconducting behavior.

Owner

  • Login: ChristianParsons98
  • Kind: user

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