Python library for QSAR model from Juvena Machine Learning Team.
Project description
QSAR Library
The 'QSAR' package provides a simple python interfact for using Juvena QSAR deep learning model.
Links
* QSAR @ PyPi_
Installation
Install on Linux, MacOS
.. code:: bash python3 -m install QSAR
.. note:: Read the User Guide
_ and The Juvena QSAR Tutorial
_ to learn more
and to see the code examples on using the QSAR
model as a library
and as a command-line tool.
Update
- June 18: True Positives and True Negatives from Thach presentation:
- TP: FGF2, FGF8, FGF9, FGF18, PTHrP, Ihh, Shh, Wnt1, Wnt3a, Wnt5a, Wnt5b, DLL-1
- TN: TGFβ, TGF-β2, TGF-β3, BMP2, BMP4, BMP7, GDF5, Wnt4, Wnt8, Wnt9a, VEGF, IGF1, Frzb-1, triiodothyronine, thyroxine
License
This library package is distributed under the GNU Lesser General Public License
v3 or later license
.
.. _pip: https://pip.pypa.io .. _pypi: https://pypi.org/project/QSAR
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