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Code for term project of Molecular Data Science & Informatics (CH5650) course taken at IIT Madras during Jan-May 2022

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CH5650-Term-Project

The objective of this term project was to recreate results of Spectral Neighbour Analysis Potential (SNAP) for Mo, Si, Ni and Cu in Performance and Cost Assessment of Machine Learning Interatomic Potentials by Zuo et al.

Note - The data is from the mlearn GitHub repository.

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Code for term project of Molecular Data Science & Informatics (CH5650) course taken at IIT Madras during Jan-May 2022

machine-learning materials-science molecular-informatics machine-learning-potential

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