This study was supported in part by the ERC IMI (101005122), the H2020 (952172), the MRC (MC/PC/21013), the Royal Society (IEC/NSFC/211235), the NVIDIA Academic Hardware Grant Program, the SABER project supported by Boehringer Ingelheim Ltd, NIHR Imperial Biomedical Research Centre (RDA01), Wellcome Leap Dynamic Resilience, and the UKRI Future Leaders Fellowship (MR/V023799/1). Many thanks to Prof. Alexandre Tkatchenko and Dr. Leonardo Medrano Sandonas for their important help in understanding and using QM7b