Published February 6, 2024 | Version v2
Software Open

PMDM: a dual diffusion model enables 3D binding bioactive molecule generation and lead optimization given target pockets

Creators

  • 1. ROR icon City University of Hong Kong

Description

These are the necessary files of PMDM (a dual diffusion model enables 3D binding bioactive molecule generation and lead optimization given target pockets)

We have provided the pretrained model, dataset, and generated molecules.

Files

Results.zip

Files (1.8 GB)

Name Size Download all
md5:35868f62ee0dde20cb9563b1c645d8a6
63.9 MB Download
md5:59416d06c2c366f6e05b91fdff8584f7
1.6 GB Download
md5:f9b6c7772ecdc6e4b7fb9bbe7cb1de28
90.1 MB Preview Download
md5:d782da9499096612ca7115cb94313aa2
15.3 MB Download