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Kevin committed Jan 12, 2020
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# ML workshop MolSim 2020

[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1jaRBPC3u-ianxiUGLsfZqMgYirEKfn_j)
[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/kjappelbaum/ml_molsim2020/blob/master/molsim_ml.ipynb)
[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/kjappelbaum/ml_molsim2020.git/master?filepath=molsim_ml)
[![](https://img.shields.io/badge/python-3.7+-blue.svg)](https://www.python.org/download/releases/3.7.0/)
[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)
Expand All @@ -10,6 +10,8 @@ In this exercise we will build a simple model that can predict the carbon dioxid

![Parity plot result](_static/result.gif)

You can find more background information in the accompanying [notes](notes/notes.pdf).

# How to run it

Some parts of this exercise will need more computational resources than most of
Expand Down Expand Up @@ -57,6 +59,8 @@ Click the "Open in Colab" button on the top and run the first three cells to
install the dependencies.
Then you should be able to use the notebook in Colab.

![Making a copy in Colab](_static/save_copy_colab.png)

**Make sure to make a copy into your Google Drive and work on this copy. And
not on the shared notebook!**

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