Chemical Computing Group

Chemical Computing Group (CCG) develops and provides molecular modeling, molecular simulations, machine learning, and bioinformatics software to pharmaceutical and biotechnology companies as well as academic institutions worldwide. With over 32 years of operation, CCG maintains a team of mathematicians, scientists, and software engineers who develop new technologies both internally and through scientific collaborations with customers. The company has offices in America, Europe, and Asia, and its platforms are described as a standard in the pharmaceutical and biotechnology industries, with wide citation in scientific literature and patents.

CCG's software addresses a broad range of drug discovery workflows, serving chemists, biologists, and crystallographers across small molecules, peptides, and biologics. Its products are deployable across laptop, cluster, cloud, and pipeline environments, and run on Windows, Linux, and Mac operating systems.

Core Products

• MOE (Molecular Operating Environment) — CCG's primary drug discovery platform, integrating visualization, modeling, and simulations in a single package. MOE covers structure-based drug design, ligand- and fragment-based drug design, pharmacophore screening, protein and antibody and peptide modeling, molecular modeling and simulations, cheminformatics and QSAR, and methods development and deployment. It includes a built-in programming environment called SVL (Scientific Vector Language).
• MOEsaic — A web-based SAR (structure-activity relationship) explorer that enables users to visualize SAR and SPR data and trends, perform substructure and similarity searches, profile and analyze R-groups, analyze matched molecular pairs (MMPs), design novel virtual ligands, and document analysis results and collect notes.
• PSILO — A protein structure database and visualization system that functions as a macromolecular repository. PSILO provides data visualization and analysis, a browser interface for search and retrieval, 3D ligand-receptor and pocket similarity analysis, protein structure alignment, data standardization and annotation, and integration with standard IT infrastructure.

Platform Capabilities

• Unified platform supporting chemists, biologists, and crystallographers
• Coverage of small molecules, peptides, and biologics
• Deployment across laptop, cluster, cloud, and pipeline environments
• Compatible with Windows, Linux, and Mac operating systems
• Integrated programming environment via SVL
• Structure-based and ligand-based drug design workflows
• Cheminformatics, QSAR, and machine learning capabilities
• SAR and SPR visualization and analysis
• Protein structure management, search, and similarity analysis

Support and Community

• Expert-level scientific support and scientific project collaborations
• Onsite and remote training
• User Group Meetings (UGMs) and conferences held annually in Europe and North America
• Workshops and webinars, including hands-on workshop sessions
• Offices in America, Europe, and Asia serving a worldwide user community
• 2026 UGM and Conference events scheduled in Basel, Switzerland (Europe) and Montreal, Canada (North America), featuring talks, posters, and workshops

Company Background and Industry Presence

• Over 32 years of continuous software development and research
• Recognized platform in pharmaceutical and biotechnology industries
• Extensive citation in scientific literature and patents
• Large-scale deployment across global organizations
• Academic licensing and engagement with the research community
• Recognition including ACS Awards

CCG serves a global customer base spanning major pharmaceutical and biotechnology companies as well as academic institutions, providing both software products and collaborative scientific support across the full spectrum of computer-aided molecular design.