On this page are links where you can obtain information about third-party software packages incorporated into MolBook UNIPI. All of these software packages come with the version of MolBook UNIPI; the links are included here primarily for completeness.
The rights of the Software (held by the Company and/or the Developer) do not cover elements, libraries, strings, code developed and made available by third parties (“Elements“). The Elements, processed in whole or in part by the Company for the Software, are and remain the property of the third parties who have made them available and are recipients of the respective licenses.
Licences for third party packages and software can be found at the corresponding links.
Software and Packages
- Python 3.8.13
MolBook UNIPI’s code is written entirely in the Python language. The version of Python interpreter may change depending on the software version.
The graphical user interfaces (GUIs) were designed with Qt Designer, a tool bundled within Qt.
- PIL 9.2
The Python Imaging Library
- pandas 1.4.2
Library for database management.
- NumPy 1.23.2
Package for numerical operations.
- joblib 1.1
Library for data dumping.
- RDKit 2022.03.3
Open source toolkit for cheminformatics.
- PubChemPy 1.0.4
Library which provides functions to interact with PubChem.
- scikit-learn 1.0.2
Simple and efficient tools for predictive data analysis.
- natsort 8.2
Library for Simple and flexible natural sorting in Python.
- JSME Molecule Editor
VenomPred is a platform for assessing the toxicological profile of small molecules.
Software and packages to compile executables
- PyInstaller 5.1
PyInstaller bundles a Python application and all its dependencies into a single package. The user can run the packaged app without installing a Python interpreter or any modules.
- Inno Setup 6.2.1
Inno Setup is a free installer generator for Windows programs.
For a more complete list of third-party software, download the full documentation.