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signaturizer
Commits
87f33176
Commit
87f33176
authored
Jul 01, 2020
by
Martino Bertoni
🌋
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fix markdown
parent
eac8b7a2
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README.md
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87f33176
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@@ -18,16 +18,16 @@ the original Chemical Checker
[
website
](
https://chemicalchecker.com/
)
# Installation
#
# Installation
## from PyPI
##
#
from PyPI
```
bash
pip
install
signaturizer
```
## from Git repository
##
#
from Git repository
```
bash
pip
install
git+http://gitlabsbnb.irbbarcelona.org/packages/signaturizer.git
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...
@@ -35,10 +35,10 @@ pip install git+http://gitlabsbnb.irbbarcelona.org/packages/signaturizer.git
# Usage
#
# Usage
## Generating Bioactivity Signatures
##
#
Generating Bioactivity Signatures
```
python
from
signaturizer
import
Signaturizer
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@@ -60,7 +60,7 @@ results = sign.predict(smiles, 'destination.h5')
```
## Generating Global Bioactivity Signatures
##
#
Generating Global Bioactivity Signatures
```
python
from
signaturizer
import
Signaturizer
# load the bioactivity space predictor for all space
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@@ -75,7 +75,7 @@ print(results.signature.shape)
```
# Citing
#
# Citing
If you use this resource in the course of your research, please consider citing
these papers:
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