FDA Molecular Modeling Simulation Platform or comparable

The Food and Drug Administration’s Office of Product Quality and Research requires a Molecular Modeling Simulation Platform or equivalent system to advance research in pharmaceutical manufacturing and regulatory science, with a focus on AI and machine learning-driven molecular dynamics simulations. The platform must support all-atom and coarse-grain modeling of drug-excipient, drug-interface, liposome, nanomaterial, and protein-excipient interactions across liquid, frozen, and dried formulations, with simulation capabilities for systems of at least 70,000 atoms over durations exceeding 270 nanoseconds under NPT or NPφT ensembles at temperatures of 233.15 K and 300 K. The system must be compatible with the FDA’s in-house high-performance workstation—configured with Ubuntu OS, an Intel Xeon Gold 5220R processor, 128GB RAM, dual Nvidia RTX A5000 GPUs, and 512GB storage—and must include commercial-grade software licenses for KNIME, Maestro, and OPLtS to enable predictive modeling, conformational sampling, and visualization workflows. The vendor is responsible for delivering and installing the full system on-site or via screen sharing, covering all shipping and software costs, and providing comprehensive training for FDA staff to simulate, analyze, and visualize complex drug formulations and manufacturing processes. A minimum of three full-time employee days of technical support is required for constructing protein formulation structures and simulations, along with ongoing assistance, documentation, and knowledge transfer to ensure sustained operational capability. The contract is solicited under number 7571TEFDAMMSP by the Department of Health and Human Services' OMAS Strategic Buying Center, with a NAICS code of 541511, and is targeted for delivery to FDA’s facility in Silver Spring, Maryland. Responses must be submitted by July 1, 2026, and the procurement is structured as a subscription-based model with annual renewal to reduce administrative and financial risks. While the solicitation identifies the primary point of contact as Raja Seshadri and includes a secondary contact, it does not specify evaluation factors, pricing details, inspection criteria, or formal contract clauses, nor does it detail reporting, certification, or security requirements beyond the note that no security risks are anticipated due to installation on a proprietary internal workstation. The platform must be professionally managed software widely adopted in the pharmaceutical industry, ensuring reliability and alignment with industry standards, and all deliverables are contingent upon successful integration, performance validation,