vote for new projects: Uni-Mol

[likefallwind]

A Vote for New Projects: Uni-Mol

Proposal

Uni-Mol is a universal 3D molecular pretraining framework that offers a significant expansion of representation capacity and application scope in drug design. The framework comprises two models: a molecular pretraining model that has been trained using 209M molecular 3D conformations, and a pocket pretraining model that has been trained using 3M candidate protein pocket data. These two models can be used independently for different tasks and are combined for protein-ligand binding tasks. Uni-Mol has demonstrated superior performance compared to the state-of-the-art (SOTA) in 14 out of 15 molecular property prediction tasks. Moreover, Uni-Mol has achieved exceptional accuracy in 3D spatial tasks, such as protein-ligand binding pose prediction and molecular conformation generation.

For more information, see the original repository

Deadline

The vote will be open for at least 6 days unless there is an objection.

Scope

TOC MEMBERS.

[KuangYu]

+1

[wanghan-iapcm]

+1