by Deep Origin
Molecular docking and protein binding modeling through conversational AI, with data gathering from chemical databases and AI-predicted properties.
Drug Discovery & Molecular Designby Deep Origin
Molecular docking, pocket identification, and ADMET prediction via API for custom drug discovery workflows.
Drug Discovery & Molecular Design
by Pauling
Autonomous drug discovery from protein target to validated molecules in days using AI agents and integrated computational chemistry pipelines.
Drug Discovery & Molecular Design
by JURA Bio
AI-driven screening and model training for therapeutic discovery, generating 10,000+ trillion candidate sequences in vitro.
Drug Discovery & Molecular Design
by Latent Labs
Autonomous antibody design from text prompts, compressing weeks of expert work into hours with lab-validated nanomolar-affinity binders.
Drug Discovery & Molecular Designby Latent Labs
AI-designed high-affinity antibodies and macrocyclic peptides with drug-like properties and low immunogenicity from first generation.
Drug Discovery & Molecular Designby Latent Labs
All-atom protein binder design for macrocycles and mini-binders with picomolar binding affinities.
Drug Discovery & Molecular Design
by QSimulate
Quantum mechanics-based free energy perturbation for drug binding affinity prediction and lead optimization.
Drug Discovery & Molecular Designby QSimulate
Quantum mechanics-based optimization for covalent binder design, warhead tuning, and irreversible/reversible covalent binding discovery.
Drug Discovery & Molecular Designby QSimulate
Quantum-based AI for automated peptide force field generation in seconds.
Drug Discovery & Molecular Designby QSimulate
Quantum mechanical 3D fingerprinting for AI-driven drug discovery, generating high-accuracy molecular descriptors at scale.
Drug Discovery & Molecular Designby QSimulate
AI-powered PDB file preparation and cleaning for protein structure workflows.
Drug Discovery & Molecular Design
by Evogene
Generative AI molecular design optimizing potency, selectivity, stability, and synthesizability simultaneously for pharma and agriculture.
Drug Discovery & Molecular Design
by Standigm
Multi-objective optimization for hit-to-lead drug design using genetic algorithms and AI.
Drug Discovery & Molecular Designby Standigm
Automated QSAR modeling for drug discovery using deep learning and chemical intelligence, supporting ligand- and structure-based approaches.
Drug Discovery & Molecular Design
by Aganitha
Reasoning-first AI agents for therapeutic discovery combining physics-informed biology, chemistry, and multi-modal data integration with explainable AI.
Drug Discovery & Molecular Designby Aganitha
GenAI-powered in silico enzyme characterization and optimization for therapeutic and biocatalyst applications.
Drug Discovery & Molecular Design
by Molsoft
Physics-based and AI-driven protein structure analysis, molecular docking, and ligand design for drug discovery and structural biology.
Drug Discovery & Molecular Designby Molsoft
Homology modeling with side-chain and loop prediction for protein structure generation from sequence alignments.
Drug Discovery & Molecular Designby Molsoft
Structure-based virtual ligand screening with flexible docking, scoring, and database searching for lead discovery from chemical libraries.
Drug Discovery & Molecular Design