Directory · Science
Schrödinger
Computational chemistry suite combining physics-based simulation with machine learning for drug and materials design.
Best for
Computational chemists running free energy and ML screening
More science tools
Absci
Science · Absci · United States
Generative antibody design that combines large wet-lab datasets with models to create and validate therapeutic candidates.
Best for
Antibody discovery and lead optimization programs
AlphaFold
Science · Google DeepMind · United Kingdom
Protein structure prediction system from Google DeepMind, with a free server for modelling proteins and their interactions.
Best for
Researchers predicting protein and complex structures
Atomwise
Science · Atomwise · United States
Structure-based virtual screening that uses deep learning to search billions of compounds for binders to a protein target.
Best for
Hit discovery against structurally characterized targets