TorchDrug is a machine learning platform designed for drug discovery, covering techniques from graph machine learning (graph neural networks, geometric deep learning & knowledge graphs), deep generative models to reinforcement learning. It provides a comprehensive and flexible interface to support rapid prototyping of drug discovery models in PyTorch.
Build and train machine learning models for drug discovery with minimal domain knowledge.
Empower 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.