CATEGORY
AI Drug Discovery
Computational chemistry, molecular design and AI-assisted pharmaceutical discovery.
All Tools🧬 Biological AI Models💊 AI Drug Discovery🔬 Genomics & Bioinformatics🧫 Single-cell, Spatial & Cytometry🧪 Laboratory Automation & Robotics🖥️ Research GPUs & Servers
17 matching products · 17 products on page 1. Filters search the whole catalog.
Drug Discovery & ChemistryAutoDock Vina
Open Source Software · Open Source
High-throughput molecular docking and virtual screening software
Scripps Research Institute
Free Open SourceSchrödinger Maestro & Computational Chemistry Suite
Commercial Software · Commercial License
The gold-standard computational platform combining physics-based modeling and machine learning
Schrödinger
Enterprise license — contact vendorDeeplyTough
Research software / framework · Public code / project terms
Learned comparison of protein binding-site structures
BenevolentAI / DeeplyTough authors
See project terms; compute costs may applyChemistry42
Commercial research software · Provider account / licence
Commercial AI-assisted small-molecule design
Insilico Medicine
Contact provider for current pricingelio by deepmirror
Commercial research software · Provider account / licence
AI-assisted generation and prioritization of small molecules
deepmirror
Contact provider for current pricingPandaOmics
Commercial research software · Provider account / licence
AI-assisted target identification and prioritization
Insilico Medicine
Contact provider for current pricingREINVENT 4
Research software / model · Public code / project terms
Generative molecular design and optimization
AstraZeneca / MolecularAI contributors
See project terms; compute costs may applyAiZynthFinder
Research software / model · Public code
Computer-assisted retrosynthetic planning
AstraZeneca
See access and licence termsLiveDesign
Software / platform · Provider-specific terms
Collaborative molecular discovery
Schrödinger
See provider terms