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malramsay64 / MLCrystals

Machine learning for the detection and characterisation of local structure in simulation data.
MIT License
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Create a range of molecular crystal structures #2

Open malramsay64 opened 5 years ago

malramsay64 commented 5 years ago

Once I have made the code in malramsay64/2d-packing suitable for use with a simple API. I can use the code to create a range of crystal structures.

This is the simulation step where I generate the datasets for each structure.

malramsay64 commented 5 years ago

The code has been re-written and is at github.com/malramsay64/packing and is currently in a good state