December 2025: Database Collections for Use with Orion Workflows

Updated FastROCS and GigaDock Collections

FastROCS Collection Enamine REAL 2025.01 24.4Bn OEv1.0
GigaDock Collection Enamine REAL 2025.01 24.4Bn OEv1.0
FastROCS Collection Enamine Samples 2025.01 244M OEv1.0
GigaDock Collection Enamine Samples 2025.01 244M OEv1.0
FastROCS Collection Enamine US Liquid Stock July 2025 3.5M OEv1.0
GigaDock Collection Enamine US Liquid Stock July 2025 3.5M OEv1.0
FastROCS Collection Molport Screening June 2025 7.0M OEv1.0
GigaDock Collection Molport Screening June 2025 7.0M OEv1.0
FastROCS Collection Mcule Full March 2025 54.7M OEv1.0
GigaDock Collection Mcule Full March 2025 54.7M OEv1.0
FastROCS Collection Enamine HTS April 2025 3.2M OEv1.0
GigaDock Collection Enamine HTS April 2025 3.2M OEv1.0
FastROCS Collection SureChEMBL January 2024 27M OEv1.0
GigaDock Collection SureChEMBL January 2024 27M OEv1.0

Updated Molecule Search Databases

2D Molecule Search Databases

Enamine HTS April 2025 (1.8M)
Enamine REAL Samples December 2024 (910M)
Enamine US Liquid Stock July 2025 (2.1M)
FDS_Approved_ChEMBL_33_OEv1 (7.5k)
Mcule Ultimate Express 1 August 2022 (486k)
Mcule Ultimate Express August 2022 (16M)
Molport Screening June 2025 (5.1M)
SureChEMBL January 2024 (23M)

3D Molecule Search Databases

Enamine HTS April 2025 (3.2M)
Enamine REAL Samples 2025.01 (Stack Dependent)
Enamine US Liquid Stock July 2025 (3.5M)
Mcule Ultimate Express 1 August 2022 (590k)
Mcule Ultimate Express August 2022 (18M)
Molport Screening June 2025 (7.0M)
SureChEMBL January 2024 (27M)

Note

A subsetted version of the 3D Molecule Search Enamine REAL Samples 2025.01 Database is available all customers. To access the full version, please contact Customer Support at support@eyesopen.com.

Database Curation

To optimize our cloud storage usage, OpenEye, Cadence Molecular Sciences reserves the right to periodically delete certain out-of-date databases.

Curation Policy

OpenEye, Cadence Molecular Sciences is dedicated to offering high-quality vendor databases to enhance virtual screening for our customers. Vendor data provided by OpenEye for searches in Orion® is regularly updated as new versions become available from vendors. If a particular vendor collection is not currently available on Orion, please let us know, and we will assess the feasibility of adding the library to our platform.

When new versions of existing FastROCS™ and Gigadock™ collections become available in the Organization Data/OpenEye Data directory, the following process will be implemented:

The new version will replace the previous version of the collection in the Organization Data/OpenEye Data directory.
The previous version of the collection will be moved to the Deprecated folder.
The version of the collection that had been stored in the Deprecated folder will be permanently deleted and will no longer be available.

To ensure that our customers have access to the most current vendor data and to optimize vendor fulfillment, OpenEye reserves the right to permanently delete any vendor data older than two years.