Uni-Mol School

Welcome to Uni-Mol School! This course is designed to provide comprehensive training on Uni-Mol, a powerful tool for molecular modeling and simulations.

Course Introduction

The properties of drugs are determined by their three-dimensional structures, which are crucial for their efficacy and absorption. Drug design requires consideration of molecular diversity. Current Molecular Representation Learning (MRL) models mainly utilize one-dimensional or two-dimensional data, with limited capability to integrate 3D information.

Uni-Mol, developed by the DP Technology team, is the first general large-scale 3D MRL framework in the field of drug design, expanding the application scope and representation capabilities of MRL. This framework consists of two models trained on billions of molecular 3D conformations and millions of protein pocket data, respectively. It has shown excellent performance in various molecular property prediction tasks, especially in 3D-related tasks. Besides drug design, Uni-Mol can also predict the properties of materials, such as gas adsorption performance of MOF materials and optical properties of OLED molecules.

Course Content

Topic	Course Content	Instructor
Introduction to Uni-Mol	Uni-Mol molecular 3D representation learning framework and pre-trained models	Chen Letian
Uni-Mol for Materials Science	Case study of Uni-Mol in predicting the properties of battery materials	Chen Letian
	3D Representation Learning Framework and Pre-trained Models for Nanoporous Materials	Chen Letian
	Efficient Screening of Ir(III) Complex Emitters: A Study Combining Machine Learning and Computational Analysis	Chen Letian
	Application of 3D Molecular Pre-trained Model Uni-Mol in Flow Batteries	Xie Qiming
	Materials Science Uni-Mol Notebook Case Study
Uni-Mol for Biomedical Science	Application of Uni-Mol in Molecular Docking	Zhou Gengmo
	Application of Uni-Mol in Molecular Generation	Song Ke
	Biomedical Science Uni-Mol Notebook Case Study

How to Enroll

Enroll now and start your journey with Uni-Mol! Click here to enroll

Don’t miss this opportunity to advance your knowledge and skills in molecular modeling with Uni-Mol!