NWChem
High-performance computational chemistry for exascale molecular modeling and simulation.
Just now
Has API
PricingFree
Free
Molecular Electronic Structure Calculation
Density Functional Theory (DFT)
Molecular Dynamics Simulation
AI-Ranked Results
Predict Molecular Properties Tools
Discover the strongest tools and workflows for predict molecular properties.
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Matching Tools (5)
Computational Chemistry
Chai Discovery
Engineering better molecules using artificial intelligence for drug-like antibody design.
Just now
Has API
PricingPaid
$5000-$50000/mo
De novo antibody design
Antibody optimization
Target identification
Entos
Accelerating drug discovery through physics-informed machine learning and quantum-accurate molecular simulation.
Just now
Has API
PricingFree
Free
Molecular property prediction
Lead optimization
Hit-to-lead screening
