A Docker image with pre-installed SLICES v2.0.0, modified XTB package, CHGNet, M3gnet, Pymatgen, Pytorch, ALIGNN, Jarvis-tools is provided to facilitate easy installation and execution of the materials inverse design tutorials using CrystalGPT and reconstruction benchmarks.
You can load this docker image using the following command: 使用以下命令4线程并行解压缩以及加载此 docker 镜像: xz -T4 -dc dockerv11.tar.xz | docker load