Commit 94d7621b authored by Martino Bertoni's avatar Martino Bertoni 🌋
Browse files

adding speed and installation time in README

parent a7307909
...@@ -22,7 +22,7 @@ the original Chemical Checker ...@@ -22,7 +22,7 @@ the original Chemical Checker
The only strong dependency for this resource is [RDKit](https://www.rdkit.org/docs/Install.html) The only strong dependency for this resource is [RDKit](https://www.rdkit.org/docs/Install.html)
which can be installed in a local conda environment. which can be installed in a local conda environment.
The installation procedure takes less than 5 minutes.
### Conda environment ### Conda environment
...@@ -45,10 +45,8 @@ pip install git+http://gitlabsbnb.irbbarcelona.org/packages/signaturizer.git ...@@ -45,10 +45,8 @@ pip install git+http://gitlabsbnb.irbbarcelona.org/packages/signaturizer.git
``` ```
## Basic Usage ## Basic Usage
### Generating Bioactivity Signatures ### Generating Bioactivity Signatures
```python ```python
...@@ -70,7 +68,11 @@ print(results.signature.shape) ...@@ -70,7 +68,11 @@ print(results.signature.shape)
results = sign.predict(smiles, 'destination.h5') results = sign.predict(smiles, 'destination.h5')
``` ```
## Adavenced Usage ## Speed
Generating 1000 signatures for one bioactivity spaces takes less than 4 seconds on an average machine with 4 cores.
## Advanced Usage
For an exemplary application please check the ipython [notebook](http://gitlabsbnb.irbbarcelona.org/packages/signaturizer/blob/master/notebook/signaturizer.ipynb) in the `notebook` directory (you can download it and run on [Google Colab](https://colab.research.google.com/notebooks/)) For an exemplary application please check the ipython [notebook](http://gitlabsbnb.irbbarcelona.org/packages/signaturizer/blob/master/notebook/signaturizer.ipynb) in the `notebook` directory (you can download it and run on [Google Colab](https://colab.research.google.com/notebooks/))
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