Commit a07fba00 authored by Martino Bertoni's avatar Martino Bertoni 🌋
Browse files

added multiple signature example

parent b1c2d9e7
......@@ -70,6 +70,18 @@ print(results.signature.shape)
results = sign.predict(smiles, 'destination.h5')
```
### Generating multiple Signatures in one batch
```python
from signaturizer import Signaturizer
# load the predictor for any CC space in any order
sign = Signaturizer(['B1', 'E4', 'A5', 'D3'])
# prepare a list of SMILES strings
smiles = ['C', 'CCC']
# run prediction
results = sign.predict(smiles)
print(results.signature.shape)
# (2, 512)
```
### Generating Global Bioactivity Signatures
```python
......
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