AspirinCode / iPPIGAN Star 17 Code Issues Pull requests De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors drug-discovery qed ppi protein-protein-interaction drug-likeness deep-molecular-generative-models qeppi ppi-inhibitor Updated Oct 19, 2023 Jupyter Notebook
AspirinCode / DrugAI_Drug-Likeness Star 13 Code Issues Pull requests Drug-Likeness qed drug-likeness qeppi lipinski ro5 ro3 Updated Dec 11, 2022 Jupyter Notebook
AspirinCode / GENiPPI Star 10 Code Issues Pull requests Interface-aware molecular generative framework for protein-protein interaction modulators drug-design qed protein-protein-interaction gnns cwgan-gp qeppi protein-protein-interface molecular-generative-models genippi Updated Mar 16, 2024 Jupyter Notebook
AspirinCode / drug-likeness_space Star 7 Code Issues Pull requests Explore drug-like space with deep generative models qed transformer-architecture drug-likeness qeppi Updated Mar 22, 2023 Python
AspirinCode / DiffIUPAC Star 4 Code Issues Pull requests Diffusion-based generative drug-like molecular editing with chemical natural language transformer qed iupac diffusion-models qeppi Updated Jul 26, 2024 Python