Move code to 3dgrid_vqgan folder

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.gitattributes +3 -3
{data → 3dgrid_vqgan/data}/3d_grids_sample/00b781f5a45a2cd1cdff1a582f5650f9.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/00b781f5a45a2cd1cdff1a582f5650f9_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/00b781f5a45a2cd1cdff1a582f5650f9_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0a18e0f64cbaf1508b32834ece70933c.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0a18e0f64cbaf1508b32834ece70933c_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0a18e0f64cbaf1508b32834ece70933c_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0aa6c786f42a0d43d8d1dfc7e9ae4939.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0aa6c786f42a0d43d8d1dfc7e9ae4939_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0aa6c786f42a0d43d8d1dfc7e9ae4939_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0ae6f92c43122633a151eff5089e8da6.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0ae6f92c43122633a151eff5089e8da6_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0ae6f92c43122633a151eff5089e8da6_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b4020095a14325f0f174bc8a43f625d.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b4020095a14325f0f174bc8a43f625d_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b4020095a14325f0f174bc8a43f625d_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b77c16e04a8ac8f84ae9ccaf9b1aaa0.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b77c16e04a8ac8f84ae9ccaf9b1aaa0_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b77c16e04a8ac8f84ae9ccaf9b1aaa0_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b88d98ac218831353fb8c61aea0cfe8.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b88d98ac218831353fb8c61aea0cfe8_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b88d98ac218831353fb8c61aea0cfe8_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b94b07e1ec5e58964bfc7e670a359fb.smi +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b94b07e1ec5e58964bfc7e670a359fb_0.npy +0 -0
{data → 3dgrid_vqgan/data}/3d_grids_sample/0b94b07e1ec5e58964bfc7e670a359fb_0.xyz +0 -0
{data → 3dgrid_vqgan/data}/datasets/moleculenet/qm9/qm9.csv +0 -0
{data → 3dgrid_vqgan/data}/datasets/moleculenet/qm9/test.csv +0 -0
{data → 3dgrid_vqgan/data}/datasets/moleculenet/qm9/train.csv +0 -0
{data → 3dgrid_vqgan/data}/datasets/moleculenet/qm9/valid.csv +0 -0
{finetune → 3dgrid_vqgan/finetune}/args.py +0 -0
{finetune → 3dgrid_vqgan/finetune}/dataset/__init__.py +0 -0
{finetune → 3dgrid_vqgan/finetune}/dataset/default.py +0 -0
{finetune → 3dgrid_vqgan/finetune}/finetune_regression.py +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_alpha.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_cv.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_g298.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_gap.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_h298.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_homo.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_lumo.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_mu.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_r2.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_u0.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_u298.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/run_finetune_qm9_zpve.sh +0 -0
{finetune → 3dgrid_vqgan/finetune}/trainers.py +0 -0
{finetune → 3dgrid_vqgan/finetune}/utils.py +0 -0
{images → 3dgrid_vqgan/images}/3dgridvqgan_architecture.png +0 -0
{inference → 3dgrid_vqgan/inference}/run_embeddings_eval_xgboost.sh +0 -0
{inference → 3dgrid_vqgan/inference}/run_extract_embeddings.sh +0 -0

@@ -33,6 +33,6 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
 *.zip filter=lfs diff=lfs merge=lfs -text
 *.zst filter=lfs diff=lfs merge=lfs -text
 *tfevents* filter=lfs diff=lfs merge=lfs -text
-data/datasets/moleculenet/qm9/qm9.csv filter=lfs diff=lfs merge=lfs -text
-data/datasets/moleculenet/qm9/train.csv filter=lfs diff=lfs merge=lfs -text
-images/3dgridvqgan_architecture.png filter=lfs diff=lfs merge=lfs -text