OpenEye Software Annual Licenses

Closed Solicitation Posted

Solicitation number
75N98026Q00472
Agency
Not on record
Responses due
Set-aside
No set-aside

Opportunity facts

NAICS code
541511 Custom Computer Programming Services
PSC
7A21 It And Telecom - Business Application Software (Perpetual License Software)
Place of performance
Maryland 20852, United States
Points of contact

Notice details come from SAM.gov. Updated .

About this opportunity

The National Center for Advancing Translational Sciences (NCATS), part of the National Institutes of Health, seeks reinstatement of OpenEye Non-Profit Package annual software licenses, with quotes due June 5, 2026 at 2:30 PM EST and award anticipated on or after June 9, 2026. The procurement is a small business set-aside; one source indicates women-owned small business (WOSB), while another indicates general small business.

Place of performance is North Bethesda, Maryland. The OpenEye Non-Profit Package comprises 15 integrated tools: BROOD, EON, FILTER, OEChem TK, OEDocking, OMEGA, OMEGA DB, pKa Prospector, QUACPAC, ROCS, SITEHOPPER, SPRUCE, SZMAP, SZYBKI, and VIDA. The requirement supports molecular modeling, virtual screening, structure-activity relationship analysis, molecular docking, conformer generation, and qHTS data mining conducted by the Early Translation Branch, Chemical Genomics Branch, Informatics Core, and collaborating NCATS researchers. The vendor must maintain compatibility with existing NCATS workflows and internally developed tools, provide licensing updates and support, and ensure continuity with minimal disruption following any coverage lapse.

The solicitation covers three line items: the annual OpenEye Non-Profit Package subscription, a FastROCS annual evaluation license, and a Shape annual evaluation license. The base period runs one year from June 15, 2026 through June 14, 2027, commencing within thirty days of award. NAICS code is 541511 (Custom Computer Programming Services) with a $134 size standard; PSC code is 7A21 (IT and Telecom-Business Application Software). Award will be made using Lowest Priced Technically Acceptable (LPTA) evaluation. Payment is monthly in arrears through the Invoice Processing Platform upon contracting officer representative approval. The contracting officer is Damian A. Hurge; quotes should be submitted to Damian.Hurge@hhs.gov.

Notice text

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

Attachments

Files attached to this notice, newest first
File Type Posted
75N98026Q00472 _SAM posting.docx DOCX document
75N98026Q00472 - OpenEye.pdf PDF

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