File size: 1,273 Bytes
cdf9f11 372c6b7 711f14e 4725f0e 711f14e 35b34f6 cdf9f11 9a67fbe 92dd347 f1754ea 70b0129 f1754ea 92dd347 70b0129 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 |
---
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
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}
}
```
### NeurIPS:
[Topological Feature Compression for Molecular Graph Neural Networks](https://neurips.cc/virtual/2025/loc/san-diego/125958)
### Poster Visual:
[Poster](https://neurips.cc/media/PosterPDFs/NeurIPS%202025/125958.png?t=1763408261.1942737)
### arXiv:
[Topological Feature Compression for Molecular Graph Neural Networks](https://arxiv.org/abs/2508.07807)
|