# Script to benchmark single-GPU training performance, with bases precomputation | |
# CLI args with defaults | |
BATCH_SIZE=${1:-240} | |
AMP=${2:-true} | |
CUDA_VISIBLE_DEVICES=0 python -m se3_transformer.runtime.training \ | |
--amp "$AMP" \ | |
--batch_size "$BATCH_SIZE" \ | |
--epochs 6 \ | |
--use_layer_norm \ | |
--norm \ | |
--save_ckpt_path model_qm9.pth \ | |
--task homo \ | |
--precompute_bases \ | |
--seed 42 \ | |
--benchmark | |