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