2D Molecule Search Database Chunk Collection Floe

Description

This floe creates a chunked collection to be used by the 2D Molecule Search Database Prep Floe.

Promoted Parameters

Title in user interface (promoted name)

  • Chunk Size (chunk_size) type: integer: Size of each chunk of molecules
    Default: 100000
  • Collection Name (collection_name) type: string: Chunked collection name
    Default: 2D Molecule Search Chunked Collection
  • Structures (structures) type: file_in: Molecule input file. Must be one of the following formats: .smi, .ism, .cxsmiles, .csv, or .sdf

Optional parameters (promoted names)

  • Chunk Size (chunk_size) type: integer: Size of each chunk of molecules
    Default: 100000
  • Collection Name (collection_name) type: string: Chunked collection name
    Default: 2D Molecule Search Chunked Collection
  • Structures (structures) type: file_in: Molecule input file. Must be one of the following formats: .smi, .ism, .cxsmiles, .csv, or .sdf
  • Title Data (title_name) type: string: For .csv molecule title declarations. If left blank, titles are assumed to be in the second column.