Source code and data for Exploration of crystal chemical space using text-guided generative artificial intelligence

This Zenodo dataset provides the source code and data for the paper "Exploration of Crystal Chemical Space Using Text-Guided Generative Artificial Intelligence." It includes the following files:

Source Code (chemeleon-v0.1.1.zip):

This repository contains the source code for the Chemeleon model (https://github.com/hspark1212/chemeleon), ensuring reproducibility of the paper. The code version is 0.1.1.

DFT-Optimized Generated Structures:

DFT-optimized structures for the TiO2, Ti-Zn-O, and Li-P-S-Cl systems. (File: dft_optimized_generated_structures.zip)

MP-40 Dataset:

A dataset including text prompts for model training and testing. (File: chemeleon_v0)