Demo of LlaSMol Large Language Model for Natural Language Processing in Chemistry

Installation

Create an empty conda environment

    conda create -n llasmol python=3.10 -y

and activate it.

    conda activate llasmol

Once the environment is activated, install the required packages using the provided requirements.txt file.

    pip install -r requirements.txt

Contents

The smolinstruct.ipynb notebook provides a demonstration of how to use the SMolInstruct dataset which has been used for fine-tuning the LlaSMol models on a variety of tasks in chemistry.

The llasmol.ipynb notebook provides a demonstration of how to use the LlaSMol model for various chemistry-related tasks, including name conversion, forward reaction prediction, molecule generation and more.