TorchDrug
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About
TorchDrug is a machine learning platform designed for drug discovery. It covers techniques from graph machine learning, deep generative models to reinforcement learning. It provides a comprehensive and flexible interface to support rapid prototyping of drug discovery models in PyTorch. It allows building and training machine learning models for drug discovery with minimal domain knowledge and empowers fast iteration of ideas by a large collection of common datasets and building blocks. Benchmarks provide a systematic comparison of deep learning architectures for drug discovery and models can seamlessly scale to multiple CPUs, multiple GPUs, or even distributed settings.
Platform
Task
Features
• scalable training and inference
• comprehensive benchmarks
• datasets and building blocks
• minimal domain knowledge
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