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TorchDrug

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About

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.

Platform
Web
Task
molecule designing

Features

• scalable training and inference

• comprehensive benchmarks

• datasets and building blocks

• minimal domain knowledge

• biomedical knowledge graph reasoning

• reaction prediction & retrosynthesis

• de novo molecule design & optimization

• property prediction

Pricing Plans

Free
Free Plan

• Machine learning platform for drug discovery

• Graph machine learning models

• Deep generative models

• Reinforcement learning algorithms

• Comprehensive datasets and building blocks

• Scalable training and inference

Job Opportunities

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