materials.3dgrid_vqgan / 3dgrid_vqgan /inference /run_extract_embeddings.sh
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Move code to 3dgrid_vqgan folder
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#!/bin/bash
python -u ./scripts/extract_embeddings.py \
--dataset_path '../data/datasets/moleculenet/qm9.csv' \
--save_dataset_path '../data/embeddings/qm9_embeddings.csv' \
--ckpt_filename 'VQGAN_43.pt' \
--data_dir '../data/sample_data_schema' \
--batch_size 2 \
--num_workers 0 \