An indexing class that is used in the backend of ElMTree and ElM2D searches. A flask application is also provided in ElMTree/app for hosting a simplified interface for custom searches.
This may be hosted privately, but note that we may not share data contained in the pickled indexing and ElMTree database binaries, which are necessary for the application to work. Please generate these files yourself using the script provided in main() in the file ElMTree/ElMTree.py.
Recommended installation is via pip:
pip install ElMTreeIndex
Which may then be used as so:
from ElMTree import ElMTree
elmtree = ElMTree(YOUR_LIST_OF_COMPOSITIONS_AS_STRINGS)
results = elmtree.knn("NaCl")