I am trying the demo instructions in the readme at a Google Colab notebook and they fail. The issue appears to be the missing assignment to the structures variable. You have declared the type of the variable using structures: List[Structure], but we don't actually have a list of Structure objects assigned to structures.
structures: List[Structure]
atom_similarity = AtomSimilarity.from_structures(structures,
k_dim=100, max_elements=3)
I am trying the demo instructions in the readme at a Google Colab notebook and they fail. The issue appears to be the missing assignment to the structures variable. You have declared the type of the variable using structures: List[Structure], but we don't actually have a list of Structure objects assigned to structures.
https://colab.research.google.com/drive/1cixRlgztS2gHQSRGwjfy48kcL-O7ZZRo?usp=sharing