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Substructure search

Bigsmiles

from cript import *

result = Search(node="Material", q="{[][<]CCO[>][]}", field="bigsmiles", filters={"limit": 10})

for r in result:
    print(r)

Smiles

from cript import *

result = Search(node="Material", q="CCO", field="smiles", filters={"limit": 10})

for r in result:
    print(r)

Fields

Attribute Type Required
node string or class t
q str t
field str o
filters Dict o

Filters

Attribute Type Required
limit int, default 100 o