TorchDrug

Click to visit website
About
TorchDrug is a comprehensive machine learning platform specifically developed for drug discovery. It integrates advanced techniques such as graph machine learning (including graph neural networks, geometric deep learning, and knowledge graphs), deep generative models, and reinforcement learning. The platform offers a flexible interface for rapid prototyping of drug discovery models within PyTorch. It aims to make drug discovery techniques accessible, allowing machine learning practitioners to apply fundamental algorithms with minimal effort on domain-specific knowledge. Key features include minimal domain knowledge requirements, a large collection of datasets and building blocks for fast iteration, comprehensive benchmarks for model comparison, and scalable training and inference across various hardware configurations. TorchDrug was initiated by MilaGraph to accelerate development and integrate recent advances in the field.
Platform
Task
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
Job Opportunities
There are currently no job postings for this AI tool.
Ratings & Reviews
No ratings available yet. Be the first to rate this tool!
Alternatives
X-Chem
X-Chem accelerates small molecule drug discovery by combining DEL technology with AI solutions. Their ArtemisAI platform powers HITMiner for molecular interaction mapping and hit expansion.
View DetailsBenevolentAI
BenevolentAI uses AI for drug discovery and development, partnering with pharma companies to tackle complex diseases and accelerate drug development timelines.
View DetailsAitia Bio
Aitia Bio uses AI, multi-omic data, and Gemini Digital Twins to accelerate drug discovery and development, focusing on oncology and neurodegenerative diseases.
View DetailsAganitha AI
Aganitha AI is an in silico company that partners with biopharma, personal & homecare, and material sciences industries, leveraging AI to accelerate scientific R&D.
View DetailsMindRank AI
MindRank AI is an innovative platform leveraging machine learning, biology, and chemistry to push the boundaries of AI in small molecule drug discovery.
View DetailsFeatured Tools
GirlfriendGPT
NSFW AI chat platform with customizable characters, AI image generation, and voice chat. Explore roleplay and intimate interactions with AI companions.
View DetailsPDF Translator
PDF Translator is an AI-powered tool for instant document translations. Upload PDFs, select from 100+ languages, and get format-preserving translations for free.
View DetailsWan 2.2 Animate
Wan 2.2 Animate is a free online AI tool that transforms any character with advanced AI-powered animations, precise facial expressions, and dynamic body movements without registration.
View DetailsStoryShort
StoryShort is an AI creation tool that helps you create viral faceless videos on auto-pilot, generating engaging content in minutes.
View DetailsAIhumanize
AIhumanize is an advanced AI humanizer tool that transforms AI-written text into natural, authentic writing, helping you bypass all major AI detectors.
View DetailsLoveGen AI
LoveGen AI is an all-in-one platform integrating major image and video AI models, enabling creation from text, visual enhancement, and video generation.
View DetailsCapacity
Capacity is an AI tool that helps you turn any idea into a working web app, including fullstack applications and cloned websites, without writing code.
View DetailsNano Banana Pro
Nano Banana Pro is a reasoning-first 4K AI image editor designed for creative teams to generate lossless 4K visuals, transparent PNGs, and high-quality exports.
View DetailsImageTranslator
ImageTranslator is an AI-powered online tool that translates text in images instantly, supporting over 100 languages while preserving original layout.
View DetailsSeedance 2
Seedance 2 is a groundbreaking AI video generation technology that delivers 1080p cinematic quality with advanced motion synthesis and multi-shot storytelling.
View DetailsKissGen AI
KissGen AI is the best AI kissing video generator, transforming memories into lifelike kissing videos with realistic animations and custom styles.
View DetailsGempix2 AI
Gempix2 AI is a free online AI photo and image editor, powered by NanoBanana 2 technology, offering advanced tools for professional-quality visual transformations.
View DetailsAI Animate Image
AI Animate Image revolutionizes how you create animated content from static images. Our advanced AI image animator turns photos into animation with stunning realism.
View DetailsWan 2.2
Wan 2.2 is an open-source AI video generation tool using MoE architecture, transforming text or images into professional 720P cinematic videos.
View DetailsSoora2
Soora2 is a global Sora 2 AI video generation platform offering text-to-video, image-to-video, and AI editing tools without watermarks.
View Details