2D Molecule Search Database Prep Floe

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

  • Molecule Search

Description

This floe creates a 2D database collection to be loaded into Molecule Search.

Promoted Parameters

Title in user interface (promoted name)

Database Inputs

Input Collection (input_collection): Collection made from the 2D Molecule Search Database Chunk Collection Floe.

  • Required

  • Type: collection_source

2D Molecule Search Prep Collection (output_collection): Database collection name.

  • Required

  • Type: collection_sink

  • Default: MSDB_2D Molecule Search Database

Database Version (database_version): Version for the resulting database.

  • Required

  • Type: string

  • Default: 0.0.0

Database Name (database_title): Title of the 2D database. This is the title that will appear when the database is activated.

  • Required

  • Type: string

  • Default: 2D Molecule Search Database

Advanced Settings

Merging Memory (merge_mem): Memory(MiB) for each merger cube. This should only be changed by experienced users.

  • Required

  • Type: decimal

  • Default: 64000

Merging Temporary Disk Space (temp_disk_space): Temporary disk space(MiB) for each merger and prep cube. This should only be changed by experienced users.

  • Required

  • Type: decimal

  • Default: 200000

Merging Instance Type (merge_instance): This parameter controls the AWS instance type the multiple merger cubes will use. This should only be changed by experienced users.

  • Type: string

Database CPU number (cpu_num): Number of CPUs desired for database instance.

  • Type: integer

Database GPU number (gpu_num): Number of GPUs desired for database instance.

  • Type: integer

Database Memory (db_memory): Desired memory for database instance in MB.

  • Type: decimal

Database Disk Space (db_diskspace): Desired disk space for database instance in GB.

  • Type: decimal

Database Instance Type (db_instance): Desired instance type for database instance.

  • Type: string