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https://github.com/fxcoudert/binders

This repository contains some Python binders for teaching, by François-Xavier Coudert
https://github.com/fxcoudert/binders

chemistry machine-learning materials-science teaching-materials

Last synced: 4 days ago
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This repository contains some Python binders for teaching, by François-Xavier Coudert

Host: GitHub
URL: https://github.com/fxcoudert/binders
Owner: fxcoudert
Created: 2021-09-17T10:02:35.000Z (about 3 years ago)
Default Branch: master
Last Pushed: 2023-11-14T08:40:51.000Z (almost 1 year ago)
Last Synced: 2024-06-13T12:52:41.727Z (5 months ago)
Topics: chemistry, machine-learning, materials-science, teaching-materials
Language: Jupyter Notebook
Homepage: https://www.coudert.name
Size: 11 MB
Stars: 1
Watchers: 3
Forks: 3
Open Issues: 0
Metadata Files:
- Readme: README.md

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README

        # Python binders

[![Binder](http://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/fxcoudert/binders/HEAD)

This repository contains some Python binders for teaching.

## Test

- [Simple notebook for testing that Binder works](https://mybinder.org/v2/gh/fxcoudert/binders/HEAD?urlpath=lab/tree/test.ipynb)

## Machine learning in chemistry

- Prediction of melting point of organic molecules by linear regression: [view/read](https://nbviewer.org/github/fxcoudert/binders/blob/master/projects/Linear_regression_melting_point.ipynb) or [run in your browser](https://mybinder.org/v2/gh/fxcoudert/binders/HEAD?urlpath=lab/tree/projects/Linear_regression_melting_point.ipynb)

- Classification of molecules by aqueous solubility: [view/read](https://nbviewer.org/github/fxcoudert/binders/blob/master/projects/Classification_soluble_molecules.ipynb) or [run in your browser](https://mybinder.org/v2/gh/fxcoudert/binders/HEAD?urlpath=lab/tree/projects/Classification_soluble_molecules.ipynb)

- Similarity of molecules in a dataset: [view/read](https://nbviewer.org/github/fxcoudert/binders/blob/master/projects/Similarity_of_molecules.ipynb) or [run in your browser](https://mybinder.org/v2/gh/fxcoudert/binders/HEAD?urlpath=lab/tree/projects/Similarity_of_molecules.ipynb)

- Predicting 13C NMR shifts of organic molecules: [view/read](https://nbviewer.org/github/fxcoudert/binders/blob/master/projects/NMR_prediction.ipynb) or [run in your browser](https://mybinder.org/v2/gh/fxcoudert/binders/master?filepath=projects/NMR_prediction.ipynb)