OpenEye Software Annual Licenses

Project ID: 75N98026Q00472 FederalOpportunitiesSynopsis Solicitation

Overview

Agency	HHS Office of the Assistant Secretary for Financial Resources
Deadline	06/05/26
Posted	06/05/26
Estimated Value	<$250,000 (solicitation indicates Simplified Acquisition Procedures, which in most cases, applies to contracts expected to be less than $250K in value)
Set Aside	None
NAICS	541511 - Custom Computer Programming Services
PSC	7A21 - IT And Telecom - Business Application Software (Perpetual License Software)
Location	MD 20852 United States

Description

Primary Latest Change

This requirement supports ongoing translational science and drug discovery activities conducted by Early Translation Branch (ETB), Chemical Genomics Branch (CGB), Informatics Core (IFX), and collaborating NCATS researchers. The requirement is for the OpenEye Non-Profit Package, including BROOD, EON, FILTER, OEChem TK, OEDocking, OMEGA, OMEGA DB, pKa Prospector, QUACPAC, ROCS, SITEHOPPER, SPRUCE, SZMAP, SZYBKI, and VIDA. The software supports: comparison of synthesized small molecules using NCATS-generated biological data molecular modeling and virtual screening structure-activity relationship analysis molecular docking, conformer generation, and lead optimization qHTS data mining and related cheminformatics workflows continuity of in-house tools built on the OpenEye platform Salient characteristics: Must provide reinstatement of the existing OpenEye software subscription environment currently used by NCATS Must support molecular modeling, virtual screening, and structure-based and ligand-based computational chemistry workflows Must support comparison of chemical structures by shape, electrostatics, and related molecular properties Must support conformer generation, molecular preparation, docking, visualization, and analysis Must support structure-activity relationship analysis and compound prioritization for follow-on testing Must maintain compatibility with existing NCATS workflows and internally developed tools that rely on the OpenEye platform Must support continuity of scientific operations with minimal disruption following lapse of coverage Must include vendor licensing, updates, and support associated with the proprietary OpenEye package

Summary (Newest Update)

Background This requirement supports ongoing translational science and drug discovery activities conducted by the Early Translation Branch (ETB), Chemical Genomics Branch (CGB), Informatics Core (IFX), and collaborating NCATS researchers. The goal of the contract is to procure the OpenEye Non-Profit Package to facilitate various scientific workflows. Work Details The contract requires the delivery of the OpenEye Non-Profit Package, which includes the following software products: BROOD, EON, FILTER, OEChem TK, OEDocking, OMEGA, OMEGA DB, pKa Prospector, QUACPAC, ROCS, SITEHOPPER, SPRUCE, SZMAP, SZYBKI, and VIDA. The software must support: - Comparison of synthesized small molecules using NCATS-generated biological data - Molecular modeling and virtual screening - Structure-activity relationship analysis - Molecular docking, conformer generation, and lead optimization - qHTS data mining and related cheminformatics workflows - Continuity of in-house tools built on the OpenEye platform. Salient characteristics include: - Reinstatement of the existing OpenEye software subscription environment currently used by NCATS - Support for molecular modeling and computational chemistry workflows - Compatibility with existing NCATS workflows and internally developed tools that rely on the OpenEye platform - Vendor licensing, updates, and support associated with the proprietary OpenEye package. Period of Performance 06/15/2026 – 06/14/2027 Place of Performance National Institutes of Health, Office of Logistics and Administration, Rockville, MD 20852-3804 Bidder Requirements Offerors must be registered in Beta SAM with a valid certification. They should provide a DUNS number and TIN; company name with mailing address and website; point of contact information; type of company (e.g., small business); and confirmation of having a Government approved accounting system if applicable. Additionally, they must comply with any specific requirements related to authorized distributors or OEMs for the software.

Contacts