Hermite^®

AI4S-Enhanced CADD Tool for Accelerating Rational Drug Discovery

Hermite® combines artificial intelligence, physical modeling, and high-performance computing to streamline preclinical drug discovery.

Hermite®, with massive cloud-based computational resources, supports large-scale hit compound screening and lead compound optimization, all within a single platform. Hermite® web-based molecular visualization tools enable seamless collaboration and data sharing, allowing researchers to view, design, and analyze molecular data across devices.

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Leading Free Energy Perturbation (FEP) Calculation Tool

Proven computational accuracy across more than 50 systems.
Completes over 1,000 FEP calculations in just 8 hours.
Interactive adjustment of complex 3D structures and modification of calculation perturbation maps.

Ultra-High Throughput Virtual Screening Tool

Completes virtual screening of 20 million molecules in just 8 hours.
12-step refined process ensures the reliability of virtual screening results.
Includes 24 commercial molecular libraries, with over 22 million purchasable molecules.

Custom Visualization Component Library for CADD

Linked 2D & 3D structure visualization and editing, supporting freeform design and precise calculations.

Multi-layer information display of structures, labels, and interactions, aiding in the construction of SAR models for informed decision-making

Millisecond-level molecular structure switching, providing a smooth experience directly in the browser.

Linked 2D & 3D structure visualization and editing, supporting freeform design and precise calculations.

Multi-layer information display of structures, labels, and interactions, aiding in the construction of SAR models for informed decision-making

Millisecond-level molecular structure switching, providing a smooth experience directly in the browser.

Linked 2D & 3D structure visualization and editing, supporting freeform design and precise calculations.

Custom Visualization Component Library for CADD

Millisecond-level molecular structure switching, providing a smooth experience directly in the browser.

Linked 2D & 3D structure visualization and editing, supporting freeform design and precise calculations.

Multi-layer information display of structures, labels, and interactions, aiding in the construction of SAR models for informed decision-making

Empowering the Entire Preclinical Drug Discovery Process

Structure Prediction & Target Validation

Uni-Fold Protein structure prediction
Uni-EM Protein cryo-EM fitting
Uni-RiD Protein structure refinement
Protein loop region optimization
Ligand binding pocket prediction
Antibody structure prediction
Protein-protein docking

Hit Identification

Protein preparation
Ligand preparation
Uni-Dock: Molecular docking
Uni-GBSA: MM-GB/PBSA calculation
Uni-VSW: Virtual screening
Uni-Mol: Similar molecule search
VDGen: Molecule generation
Pharmacophore-based virtual screening

Lead Optimization

Uni-IFD Induced fit docking
Uni-Aquasite Binding water free energy calculation
Uni-FEP RBFE Relative binding free energy calculation
Uni-FEP ABFE Absolute binding free energy calculation
Uni-QSAR Quantitative structure-activity relationship modeling

Antibody Optimization

Antibody humanization
Antibody property prediction
Immunogenicity prediction
Post-translational modification site prediction
Protein stability prediction

Over 60% of leading pharmaceutical companies in China have chosen the Hermite^® platform.

Security Qualifications

Certified with SOC 2 Type II, ISO 20000, ISO 27001, and ISO 9001.

System Protection

Equipped with WAF and advanced protection measures from leading cloud providers, featuring comprehensive identity verification and access control.

Dual-Insurance Mechanism

Utilizes a dual-token mechanism for data transmission and storage, ensuring robust security for user data.

Hermite® Trusted by Customers, Accelerating Pipeline Development

Over 60% of leading pharmaceutical companies in China have chosen the Hermite® platform.
Customers have completed more than 200,000 Hermite® Uni-FEP calculation tasks.
The Hermite® platform has been applied in over 50 drug pipeline projects.