pharmacophore2mol

pharmacophore2mol is a tool for generating molecules from pharmacophore models. Given a pharmacophore — a representation of the essential molecular features required for biological activity — the project aims to produce valid molecules that match those constraints.

Installation

1. Clone the repository:

   git clone https://github.com/larngroup/pharmacophore2mol.git
   

2. Navigate to the project directory:

   cd pharmacophore2mol
   

3. Install the required dependencies:

   pip install -r requirements.txt
   

Usage

p2m --help

License

Contact

Raul Sofia - rauljcsofia@gmail.com

Project Link: https://github.com/larngroup/pharmacophore2mol