🚄 lchemme

Pretraining large chemistry models for embedding.

• Installation
• Command-line usage
  • Example
  • Other commands
• Python API
• Documentation

Installation

The easy way

Install the pre-compiled version from PyPI:

pip install lchemme

From source

Clone the repository, then cd into it. Then run:

pip install -e .

Command-line usage

lchemme provides command-line utlities to pre-train BART models.

To get a list of commands (tools), do

lchemme --help

And to get help for a specific command, do

lchemme <command> --help

Documentation

(Full API documentation to come at ReadTheDocs.)