PGCGM:

Physics Guided Generative Adversarial Networks for Generations of Crystal Materials with High Symmetry Constraints

Created by Yong Zhao

Introduction

This repository contains the implementation of generation code of PGCGM.

Prerequisites

python 3.8
pymatgen==2022.0.6
torch==1.7.1+cu110
torchaudio==0.7.2
torchvision==0.8.2+cu110
numpy==1.19.5
scipy==1.6.0

we recommend that you build a virtural environment running the code. Then you just run sh/gen.sh to start to generate virtual materials.