This project explores innovative approaches in drug discovery using recurrent and deep neural networks. The goal is to generate novel drug formulas with specialized structures, demonstrating the potential of artificial intelligence to expedite the identification of promising compounds for pharmaceutical development.
pip install -r requirements.txtpython -m drug_design.data.preprocessing_molinfpython -m drug_design.models.traintensorboard --logdir reports/<date>/<experiment_name>/logspython -m drug_design.models.predictpython -m drug_design.models.fine_tune- SMBH
This project is licensed under the MIT. See the LICENSE file for details.