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 |