Notice of Intent to Award to a Single Source

The Department of Health and Human Services (HHS), National Institutes of Health (NIH), National Cancer Institute (NCI), Center for Cancer Research (CCR), HIV and AIDS Malignancy Branch (HAMB) plans to procure, on a sole source basis, Schrödinger Molecular Modeling Suite Software Licenses and Support Services from: Schrodinger LLC 120 W 45th St Fl 17 New York, NY 10036 UEI: NMX3LCT2LHA3 The response close date of the notice for this requirement is in accordance with FAR 5.203(b).

This acquisition will be processed under FAR Part 12 – Acquisition for Commercial Items and will be made pursuant to the authority in FAR Part 13.501(a) and is exempt from the requirements of FAR Part 6. The North American Industry Classification System code is 513210 and the business size standard is $47 million.

The research community at the National Institutes of Health (NIH), represented by the HIV and AIDS Malignancy Branch (HAMB), Center for Cancer Research (CCR), National Cancer Institute (NCI), requires a mature software that permits complex molecular modeling simulations to support the design of next generation therapeutic agents.

The software must provide a wide range of molecular simulation technologies to help in the design of next generation therapeutic agents against viral infections, various cancers, and other therapeutic targets. These technologies include ligand design, receptor modeling, docking, molecular dynamics, structure-based drug design, compound library screening, and machine learning workflows.

The software product must be based on quantitative structure-activity relationship (QSAR) modeling features to allow highly flexible usage, enable rapid and precise, in-depth chemical compound investigations, provide advanced, fast, and accurate, virtual peptide and protein modeling features, and enable highly complex virtual ligand studies.

The Schrödinger Molecular Modeling software, published by Schrodinger LLC, allows in silico simulations of key molecular properties for the design, discovery and optimization of next generation therapeutics, as well as the identification of therapeutic targets. This software integrates machine learning to create extensive workflows and workflow automation tools into its platform, and has its own dedicated molecular dynamics tool.

The Schrödinger Molecular Modeling software became a crucial tool for NIH investigators in the discovery, lead optimization, and drug formulation. This software, specifically engineered for pharmaceutical and biotechnology research, is continuously being improved by its publisher, and vastly accelerates ongoing research and development activities at the NIH. Only the Schrödinger molecular modeling software has the sufficient level of maturity to meet the needs of the NIH research community.

Furthermore, the continuous improvement of the Schrödinger molecular modeling software by its Original Publisher, Schrodinger LLC, makes it imperative to obtain this software from a source with access to the latest upgrades and updates. The software and associated services are not available through third party providers. No other business concern beside the Original Publisher, Schrodinger LLC, is available and capable of fulfilling the need under this requirement.

This notice is not a request for competitive quotations. However, if any interested party, especially a small business, believes it can meet the Government’s needs, it may submit a capability statement, proposal, or quote for the Government to consider. The response and any other information furnished must be in writing and must contain sufficient details to allow NCI to determine if the party can perform the requirement.

Responses to this notice shall be submitted via email to Contracting Officer, Adam Hernandez, at adam.hernandez@nih.gov no later than 10:00 A.M. EST on Monday, July 14, 2025 (07/14/25). A determination by the Government not to compete this proposed requirement based upon responses to this notice is solely within the discretion of the Government. Information received will be considered for the purpose of determining whether to conduct a competitive procurement.

The Government reserves the right to use the information provided by respondents for any purpose deemed necessary and legally appropriate. To receive an award, Contractors must be registered and have valid certification through SAM.GOV. Please reference the notice number 75N91025Q00044 on all correspondence.