materials.smi-ted / smi-ted /training /run_model_light_training.sh
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#!/bin/bash
torchrun \
--standalone \
--nnodes=1 \
--nproc_per_node=1 \
train_model_ED.py \
--device cuda \
--n_batch 288 \
--n_layer 12 \
--n_head 12 \
--n_embd 768 \
--max_len 202 \
--d_dropout 0.2 \
--lr_start 3e-5 \
--lr_multiplier 4 \
--lr_decoder 3e-5 \
--n_workers 1 \
--max_epochs 51 \
--gpu -1 \
--num_nodes 1 \
--num_feats 32 \
--root_dir . \
--checkpoint_every 10000 \
--grad_acc 1 \
--train_load 'pubchem' \
--smi_ted_version 'v1' \
--data_root './pubchem/pubchem_rd-canonical_smiles.smi' \
--save_checkpoint_path './light_checkpoints' \
--load_checkpoint_path '' \
--rotate \
--debug \
--model_arch 'BERT__both_rotate' \