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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

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