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1. you need try to build several machine learning models in advance 2. then, you train the models based on the dataset the dataset: 1.
1. you need try to build several machine learning models in advance 2. then, you train the models based on the dataset
the dataset: 1. coord.raw is the coordinate (xyz) of atoms, one raw is a sample, each of which has 57 atoms, we have 7,000 sample. So the matrix is 7000*(57*3)=7000* 171; 2. energy.raw is the energies of sample, the matrix is 7000*1
coord.raw: https://raw.githubusercontent.com/rzhvn1/Dataset/main/coord.raw
energy.raw:https://github.com/rzhvn1/Dataset/blob/main/energy.raw
Please use Python, write down code and output!
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