API Tools & Pricing

Calculate molecular weight, LogP, TPSA, rotatable bonds, and more from SMILES.

Convert between SMILES, InChI, InChIKey, and MOL formats.

Compute Tanimoto fingerprint similarity between two molecules.

SMARTS-based substructure search and pattern matching.

Calculate molecular properties for multiple SMILES in one call.

Predict 3D protein structure from amino acid sequence. Returns PDB file and per-residue confidence scores.

Predict multi-chain protein complex structures with ligands and nucleic acids.

Generate protein language model embeddings for downstream ML tasks.

Global pairwise sequence alignment with Needleman-Wunsch algorithm.

Convert between FASTA, GenBank, and other sequence formats.

Fetch domain annotations, GO terms, and pathway data from UniProt.

Identify druggable binding pockets on protein structures.

Ultrafast sequence search against SwissProt and UniRef databases.

Compare two structures by RMSD and TM-score.

Aggregate gene data from UniProt, PDB, ChEMBL, and OpenTargets in one call.

Diffusion-based molecular docking with confidence-ranked poses. GPU-accelerated.

Predict biomolecular complex structures: protein-ligand, protein-protein, protein-DNA/RNA.

Physics-based molecular docking with binding affinity scoring (kcal/mol).

Predict absorption, distribution, metabolism, excretion, and toxicity properties.

Score mutation pathogenicity and generate neoantigen peptides.

Full variant analysis with cancer context, therapies, and clinical annotations.

Predict MHC Class I binding affinity for peptide-HLA pairs.

End-to-end: variant analysis, peptide generation, MHC binding, and ranking.

Rank and filter epitope candidates from MHC binding results.

Design optimized mRNA constructs with codon optimization, UTRs, and poly-A tail.

Full pipeline: mutation analysis, MHC binding, epitope selection, mRNA construct, and report.

Multi-target cancer vaccine design across multiple genes and mutations.

Generate comprehensive vaccine design report with clinical context.

Browse compassionate use cases in the registry.

Fetch detailed case information by ID.

Register a new compassionate use case.

Track treatment outcomes for an existing case.

Predict protein-ligand, protein-protein, and antibody-antigen complex structures. Open-source AlphaFold3 alternative.

Design optimized protein sequences for any 3D backbone using inverse folding.

Predict how mutations affect protein thermostability (DDG) with ThermoMPNN.

Predict protein soluble expression probability in E. coli with NetSolP.

Predict 3D antibody structure from heavy + light chain sequences. 100x faster than AlphaFold2.

Design antibody CDR sequences using inverse folding fine-tuned on antibody structures.

AI-powered de novo drug design and lead optimization with reinforcement learning.

Score how easy a molecule is to synthesize (SA Score 1-10).

End-to-end compound evaluation: molecular properties, ADMET, docking, stability, and interpretation.

Fold, design variants with ProteinMPNN, rank by stability and solubility.

Antigen-to-candidate pipeline: fold antibody, design CDR loops, assess developability.

Target-to-drug pipeline: generate molecules, score properties, check synthesis, rank candidates.

Get plain-English explanation of any scientific result with key findings and confidence.

Compare results across models for agreement scoring and discrepancy analysis.

Predict material properties: bandgap, formation energy, stability, and crystal structure analysis.

Weather and climate forecasting with environmental impact analysis for field studies.

Satellite-derived land cover classification and environmental monitoring for ecological studies.

Calculate properties for up to 1000 molecules in a single API call.

Predict ADMET for up to 100 compounds in one call. Pro tier and above.