ase==3.22.1 PyCifRW==4.4.6 gradio==4.26.0 matplotlib==3.5.3 memory_profiler==0.61.0 mendeleev==0.15.0 numpy==1.26.4 pandas==2.2.2 periodictable==1.6.1 pymatgen==2023.11.12 Requests==2.31.0 scipy==1.13.0 torch==2.1.1