drug-discovery
12 Projekte teilen dieses GitHub-Topic
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scientific-agent-skills
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 250,000+ scientists…
★ 54.6k
DeepLearningExamples
State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible…
★ 14.9k
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
★ 6.9k
chemprop
Message Passing Neural Networks for Molecule Property Prediction
★ 2.4k
torchdrug
A powerful and flexible machine learning platform for drug discovery
★ 1.6k
k-dense-byok
An AI co-scientist running on your desktop. Claude Science but better.
★ 1.3k
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and…
★ 852
ScienceClaw
ScienceClaw is a personal research assistant built with LangChain DeepAgents and AIO Sandbox infrastructure,…
★ 671 · GitHub ↗
ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
★ 370
bio
The world's most powerful open-source bio AI assistant - Access academic literature, clinical trials, drug…
★ 338
DrugClaw
🦀 Agentic RAG for drug intelligence · 57 skills · 15 task categories · DTI · ADR · DDI · PGx ·…
★ 116
shepherd2
ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design
★ 64 · GitHub ↗
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