Center for AI in Chemistry @ ITMO University

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NinaGubina 

authored a paper 5 months ago

MADD: Multi-Agent Drug Discovery Orchestra

Paper • 2511.08217 • Published Nov 11, 2025 • 57

Riddars 

updated 10 datasets 11 months ago

ai-chem/Cytotox

Viewer • Updated Jun 2, 2025 • 5.48k • 4

ai-chem/SelTox

Viewer • Updated Jun 2, 2025 • 3.24k • 5

ai-chem/EyeDrops

Viewer • Updated Jun 2, 2025 • 163 • 9

ai-chem/Benzimidazoles

Viewer • Updated Jun 2, 2025 • 1.72k • 6

ai-chem/Oxazolidinones

Viewer • Updated Jun 2, 2025 • 2.92k • 4 • 1

ai-chem/Nanozymes

Viewer • Updated Jun 2, 2025 • 1.14k • 7 • 1

ai-chem/Synergy

Viewer • Updated Jun 2, 2025 • 3.23k • 4

ai-chem/Nanomag

Viewer • Updated Jun 2, 2025 • 2.58k • 5

ai-chem/Co-crystals

Viewer • Updated Jun 2, 2025 • 70 • 10

ai-chem/Complexes

Viewer • Updated Jun 2, 2025 • 907 • 5

Riddars 

updated a collection 11 months ago

ChemX

Collection

A Collection of Chemistry Datasets for Benchmarking Automated Information Extraction. More info at https://github.com/ai-chem/ChemX • 10 items • Updated Mar 2

Riddars 

published 2 datasets 11 months ago

ai-chem/Cytotox

Viewer • Updated Jun 2, 2025 • 5.48k • 4

ai-chem/SelTox

Viewer • Updated Jun 2, 2025 • 3.24k • 5

Riddars 

updated a collection 11 months ago

ChemX

Collection

A Collection of Chemistry Datasets for Benchmarking Automated Information Extraction. More info at https://github.com/ai-chem/ChemX • 10 items • Updated Mar 2