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.gitignore
BeamSearch.ipynb
NIST_Evaluate.ipynb
NIST_beamsearch.png
NistSamples
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PrepareData.py
README.md
architecture.py
build_corpus.py
build_vocab.py
configs
- batch_size
- hidden_size
- standard
- window_size
data
- qm9_vocab.pkl
dataset.py
enumerator.py
generate_configs.ipynb
images
- 2d_umap_vis.png
- 2d_umap_visualization_default.png
- 3d_umap_visualization.jpeg
- 3d_umap_visualization_2.jpeg
- 3d_umap_visualization_cosine.jpeg
- 3d_umap_visualization_haversine.jpeg
- Correct Pairs vs Incorrect Pairs.png
- Correct Pairs vs Random Pairs.png
- Correct top Pairs vs Random Pairs.png
- Decoder_rdkit_vis.png
- a.png
- ir.png
- misaligned_rank1_sim.png
- misaligned_rank3_sim.png
- mol.png
- mol.svg
- newplot.png
- rdkit_rank1_misalign.png
- rdkit_rank1misalign.png
- rdkit_rank3_misalign.png
- tanimotosim.png
- temp.png
jobs
- submit.sh
- submit_normal_node.sh
models
- __pycache__
- decoder.py
- gcl.py
- transformer.py
- vit.py
movie.avi
qm9
- NIST_data.ipynb
- __init__.py
- __pycache__
- args.py
- data
- dataset.py
- ir_congruence.png
- logs/exp_1_alpha
  - losess.json
- models.py
- utils.py
requirements.yml
run.py
sample_config.yaml
train_utils.py
utils.py
utils_decoder.py

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`‎.gitignore`

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 +checkpoints/
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 +*ipynb_checkpoints

`‎BeamSearch.ipynb`

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