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Predicts the Atomisation energy required for a given molecule provided the molecular features

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Atomisation_energy_prediction

Predicts the Atomisation energy required for a given molecule provided the molecular features

The Dataset can be found here https://drive.google.com/file/d/1kFKAxTViaIMqzFKLFZcpnBClsXLkNwT2/view?usp=sharing download this file and place it in the same repository as the Jupyter Notebook

The file contains 1277 molecular features of 16242 molecules Of which the last column "Eat" is the Atomisation energy for the corresponding Molecule

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Predicts the Atomisation energy required for a given molecule provided the molecular features

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