search

muammar / ml4chem

ML4Chem: Machine Learning for Chemistry and Materials
https://ml4chem.dev
Other
92 stars 15 forks source link

Add a CJSON reader #11

Closed muammar closed 5 years ago

muammar commented 5 years ago

This function will take as an argument the path of a cjson file and will return an ASE trajectory file that is going to be compatible with ml4chem.

For more information see https://github.com/OpenChemistry/chemicaljson

muammar commented 5 years ago

Thanks @jacklyngee.