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--- |
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license: mit |
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datasets: |
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- scikit-fingerprints/MoleculeNet_ESOL |
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- scikit-fingerprints/MoleculeNet_FreeSolv |
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- scikit-fingerprints/MoleculeNet_Lipophilicity |
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- ibm-research/otter_uniprot_bindingdb_chembl |
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language: |
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- en |
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pipeline_tag: graph-ml |
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tags: |
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- arxiv:2508.07807 |
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model-index: |
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- name: PactNet |
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results: [] |
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citations: |
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- title: "Topological Feature Compression for Molecular Graph Neural Networks" |
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url: https://arxiv.org/abs/2508.07807 |
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--- |
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# PACT-Net (NeurIPS 2025) |
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```python |
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python main.py --model polyatomic --rep polyatomic --dataset esol |
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``` |
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``` |
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@inproceedings{khorana2025pactnet, |
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title = {Topological Feature Compression for Molecular Graph Neural Networks}, |
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author = {Rahul Khorana}, |
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booktitle = {Thirty-ninth Conference on Neural Information Processing Systems (NeurIPS 2025) Workshop on AI for Science}, |
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year = {2025}, |
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note = {Poster presentation} |
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} |
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``` |
