TorchDrug
github.com/deepgraphlearning/torchdrugPowerful and flexible machine learning platform for drug discovery, providing comprehensive tools for molecular property prediction, generative models, knowledge graph reasoning, and reaction prediction with PyTorch backend (1.5K+ stars)
Sourced from
- GitHub — github.com/deepgraphlearning/torchdrug
- Awesome AI for Science — github.com/deepgraphlearning/torchdrug
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