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BioSolveIT Downloads

Software
Download What it does Product page Info
Platforms (GUI) [Info]
SeeSAR
 SeeSAR
Drug Design Dashboard		 [SeeSAR] [Overview]
infiniSee
 infiniSee
Chemical Space Navigation Platform		 [infiniSee] [Overview]
infiniSee xREAL
 infiniSee xREAL
Access Point to Enamine’s Largest Compound Catalog		 [infiniSee xREAL] [Overview]
HPSee
 HPSee
Scalable Virtual Screening Workflow Environment		 [HPSee]
Components (CLI) [Info]
FastGrow
 FastGrow
Pocket Exploration		 [FastGrow] [One-Pager]
FlexX
 FlexX
Docking		 [FlexX] [One-Pager]
FlexS
 FlexS
Superposition		 [FlexS] [One-Pager]
HYDE
 HYDE
Scoring		 [HYDE] [One-Pager]
FTrees
 FTrees
Pharmacophore Similarity		 [FTrees] [One-Pager]
SpaceLight
 SpaceLight
Analog Search		 [SpaceLight] [One-Pager]
SpaceMACS
 SpaceMACS
Substructure Matching		 [SpaceMACS] [One-Pager]
CoLibri
 CoLibri
Building Spaces		 [CoLibri] [One-Pager]
Conformator
 Conformator
3D Molecule Ensembling		 [Conformator]
Chemical Spaces
Download Vendor Size Order compounds at
Commercial Chemical Spaces [Info]
GalaXi WuXi LabNetwork 2.6 × 10¹⁰ contact@labnetwork.com
CHEMriya OTAVAchemicals 5.5 × 10¹⁰ info@otava.ca
REAL Space Enamine Ltd. 8.3 × 10¹⁰ libraries@enamine.net
AMBrosia Ambinter (Greenpharma) 1.3 × 10¹¹ ambrosia@greenpharma.com
Freedom Space Chemspace 1.4 × 10¹¹ sales@chem-space.com
Synple Space Synple Chem 1.0 × 10¹² order@synplechem.com
xREAL Space Enamine 4.4 × 10¹² libraries@enamine.net
eXplore eMolecules 5.0 × 10¹² explore@emolecules.com
Virtual Chemical Spaces
KnowledgeSpace BioSolveIT (virtual) 2.6 × 10¹⁴
SeeSAR Sets
Download Number of fragments Note
FastGrow sets [Info]
sp3 set
 28,000
Medchem set
 120,000
Hinge binder set
 51,000
Dipeptide set
 661,000 N-Terminus
Dipeptide set
 661,000 C-Terminus
ReCore sets [Info]
CSD set
 Requires a license from CCDC
ZINC set
PDB set
Magic Rings
 [Original Publication]
Chemical Space Docking®

Important Note

In order to run Chemical Space Docking® both SeeSAR and HPSee, as well as a Chemical Space are required.
Download What it is
C-S-D Starter Package
 C-S-D Starter Package
Getting started with Chemical Space Docking®
Other Datasets
Download Description
Hinge Binder Collection
 Hinge Binder Collection
Curated collection of hinge binder motifs [Info]
Free-to-Academics Tools
Download What it does
PoseView
 PoseView
2D Interaction Visualization
Mona
 Mona
Molecule Dataset Preparation
SMARTSeditor
 SMARTSeditor
Chemical Pattern Definition
DogSiteScorer
 DogSiteScorer
Binding Site Detection
License Management
Download What it does
FlexLM
 FlexLM
License Manager