torchdrug
dgl
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| torchdrug | dgl | |
|---|---|---|
| 3 | 4 | |
| 1,392 | 12,999 | |
| 2.1% | 1.5% | |
| 5.7 | 9.9 | |
| 6 months ago | 4 days ago | |
| Python | Python | |
| Apache License 2.0 | Apache License 2.0 |
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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
dgl
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[P] We are building a curated list of open source tooling for data-centric AI workflows, looking for contributions.
For graph embeddings, there's quite a few. I'd recommend this one, but there's also this one (disclaimer: I'm the author) or this one, more of a DGL library.
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Detecting Out-of-Distribution Datapoints via Embeddings or Predictions
For trees/graphs, you’ll want a neural net that can take these as inputs for which I’m not sure a standard library exists. One recommendation is to checkout dgl: https://github.com/dmlc/dgl
- Beyond Message Passing: A Physics-Inspired Paradigm for Graph Neural Networks
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[D] Convenient libs to use for new research project at the intersection of GNN and RL.
The best pkg for GCN - https://github.com/dmlc/dgl
What are some alternatives?
deepchem - Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
pytorch_geometric - Graph Neural Network Library for PyTorch
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)
spektral - Graph Neural Networks with Keras and Tensorflow 2.
RecBole - A unified, comprehensive and efficient recommendation library
deep_gcns_torch - Pytorch Repo for DeepGCNs (ICCV'2019 Oral, TPAMI'2021), DeeperGCN (arXiv'2020) and GNN1000(ICML'2021): https://www.deepgcns.org
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)
deodel - A mixed attributes predictive algorithm implemented in Python.