Welcome to Uni-Mol tools’ documentation!

Uni-Mol tools is a easy-use wrappers for property prediction,representation and downstreams with Uni-Mol. It includes the following tools:

• molecular property prediction with Uni-Mol.

• molecular representation with Uni-Mol.

• other downstreams with Uni-Mol.

Contents:

• Requirements
• Installation
  • Overview
  • Bohrium notebook
• Tutorial
  • Molecule property prediction
  • Uni-Mol molecule and atoms level representation
• Interface
  • Train
  • Predict
  • Uni-Mol representation
• Data
  • DataHub
  • Datareader
  • Datascaler
  • Conformer
• Models
  • Uni-Mol
  • Model
  • Loss
  • Transformers
• Task
  • Trainer
  • Split
• Utils
  • Metrics
  • Logger
  • Config
  • Padding
• New Features
  • Coming Soon…

Indices and tables

• Index

• Module Index

• Search Page