User Guide of EnzyHTP

EnzyHTP is a Python library that automates the complete life cycle of enzyme modeling. EnzyHTP automates modular steps in traditional enzyme modeling workflows, which rely on manual curations. Such automation enable high-throughput (HTP) enzyme modeling for enzyme engineering, understanding, and machine learning.

This user guide contains:

  • Install
    How to install EnzyHTP and configure it for you local HPC (if you are using one).
  • Quick Starts
    Tutorials for users that are new to protein modeling.
    With these quick starts, people can quickly perform some HTP modeling modifying from template workflows.
  • Tutorials
    Tutorials for users that are experienced in protein modeling (knows what steps should be in the workflows)
    There will be a master tutorial that guide your through the methodology of assembly a EnzyHTP main script for your workflow.(e.g.: what to think about, which API to look for.)
    There will also a collections of Science API tutorials. Each will provide a details about what does this API do, the dataflow, commonly used arguments and how to determine the value of them, etc.

Note

This document is under active development.
Currently only part of the tutorials of EnzyHTP are provided.

Note

We refactored EnzyHTP (1.0 -> 2.0) on 2024/1/29. Tutorials before this time is deprocated. (they only works on 1.0)

Install

Quick Start

Tutorials

Documents