torchdrug
pna
| torchdrug | pna | |
|---|---|---|
| 3 | 5 | |
| 1,392 | 323 | |
| 0.7% | - | |
| 5.7 | 1.8 | |
| 6 months ago | over 1 year ago | |
| Python | Python | |
| Apache License 2.0 | MIT License |
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torchdrug
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Researchers Open-Source ‘TorchDrug’: A PyTorch-Based Machine Learning Platform Designed For Drug Discovery
Quick Read | Github | Blog | Colab Tutorial
- TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
- [P] TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
pna
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[D] Machine Learning - WAYR (What Are You Reading) - Week 130
/u/CatalyzeX_code_bot: Paper link
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[D] Machine Learning - WAYR (What Are You Reading) - Week 129
Code for https://arxiv.org/abs/2004.05718 found: https://github.com/lukecavabarrett/pna
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[D] Machine Learning - WAYR (What Are You Reading) - Week 128
In this regard, I came across the Principal Neighborhood Aggregation paper which aggregates information from neighbors based on different aggregators (1st, 2nd, and higher-order moments like mean, std, kurtosis, etc.). Additionally, the authors also introduce a scaler based on the degree of the node. It basically amplifies or attenuates the incoming information from the neighboring nodes. The code implementation is available here. Reach out to me if you want to discuss more!
What are some alternatives?
deepchem - Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
gnn-lspe - Source code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations), ICLR 2022
DeepRobust - A pytorch adversarial library for attack and defense methods on images and graphs
pytorch_geometric_temporal - PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)
dgl - Python package built to ease deep learning on graph, on top of existing DL frameworks.
RecBole - A unified, comprehensive and efficient recommendation library
chemicalx - A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
SuperGluePretrainedNetwork - SuperGlue: Learning Feature Matching with Graph Neural Networks (CVPR 2020, Oral)
graphlearn-for-pytorch - A GPU-accelerated graph learning library for PyTorch, facilitating the scaling of GNN training and inference.
enrich_omics - A python package to explore pathways, diseases and drugs associated to a list of targets (genes, proteins, etc)
prtm - Deep learning for protein science