Building Custom Atomistic Simulation Workflows for Chemistry and Materials Science with NVIDIA ALCHEMI Toolkit | NVIDIA Technical Blog
…from torch import distributed as dist from torch.utils.data.distributed import DistributedSampler from nvalchemi.data.datapipes import Dataset, DataLoader # set up distributed; torchrun --nproc-per-node 8 --nnodes 2 ... dist.initialize…