Brood Hit list

This cube builds a hit list from the input BROOD matches. The generated hit list records are emitted through the success port.

Main Parameters

Parameter Name

Extended Log Field

Log Field

Calculation Parameters

  • CPUs (cpu_count) type: integer: The number of CPUs to run this cube with
    Default: 1 , Min: 1, Max: 128
  • Cube Metrics (cube_metrics) type: string: Set of metrics to be collected

    Choices: cpu, disk, memory, network
  • Temporary Disk Space (MiB) (disk_space) type: decimal: The minimum amount of disk space in MiB (1048576 B) this cube requires. Due to overhead, request a couple hundred MiB more than required.
    Default: 5120.0 , Min: 128.0, Max: 8589934592
  • GPUs (gpu_count) type: integer: The number of GPUs to run this cube with
    Default: 0 , Max: 16
  • Instance Tags (instance_tags) type: string: Only run on machines with matching tags (comma separated)
    Default: “”
  • Instance Type (instance_type) type: string: The type of instance that this cube needs to be run on
  • Memory (MiB) (memory_mb) type: decimal: The minimum amount of memory in MiBs (1048576 B) this cube requires. Due to overhead, request a couple hundred MiB more than required.
    Default: 1800 , Min: 256.0, Max: 8589934592
  • Metric Period (metric_period) type: decimal: How often to sample metrics, in seconds
    Default: 60
    Choices: 1, 5, 10, 30, 60, 120, 180, 240, 300, Min: 1, Max: 300
  • Shared Memory (MiB) (shared_memory_mb) type: decimal: The amount of shared memory to allow a container to address
    Default: 64
  • Spot policy (spot_policy) type: string: Control cube placement on spot market instances
    Default: Prohibited
    Choices: Allowed, Preferred, NotPreferred, Prohibited, Required

Field parameters

  • Extended Log Field (ext_log_field) type: Field Type: StringVec: Message extended log field
    Default: Extended Log Field
  • Input Matches (in_matches_field) type: Field Type: RecordVec: Input Matches field
    Default: Matches
  • None (in_query_field) type: Field Type: Chem.Mol:
  • Log Field (log_field) type: Field Type: String: The field to store messages to floe report
    Default: Log Field
  • p(F>10%) Out Field (out_abbott_field) type: Field Type: Float: Field to store pfgt10 percent info
    Default: p(F>10%)
  • AroRingCt Out Field (out_arom_ring_field) type: Field Type: Int: Field to store aroringct info
    Default: AroRingCt
  • Attach Out Field (out_attach_field) type: Field Type: Float: Field to store attach info
    Default: attach
  • ClusterID Out Field (out_cluster_idx_field) type: Field Type: Int: Field to store clusterid info
    Default: ClusterID
  • Color Out Field (out_color_field) type: Field Type: Float: Field to store color info
    Default: color
  • Combo Out Field (out_combo_field) type: Field Type: Float: Field to store combo info
    Default: combo
  • Complexity Out Field (out_complexity_field) type: Field Type: Float: Field to store complexity info
    Default: Complexity
  • Fragment Out Field (out_fragment_field) type: Field Type: String: Field to store fragment info
    Default: Fragment
  • Freq Out Field (out_freq_field) type: Field Type: Int: Field to store freq info
    Default: freq
  • fsp3C Out Field (out_fsp3c_field) type: Field Type: Float: Field to store fsp3c info
    Default: fsp3C
  • HvyAtoms Out Field (out_heavy_field) type: Field Type: Int: Field to store hvyatoms info
    Default: HvyAtoms
  • LipinskiAcc Out Field (out_lipinski_acc_field) type: Field Type: Int: Field to store lipinskiacc info
    Default: LipinskiAcc
  • LipinskiDon Out Field (out_lipinski_don_field) type: Field Type: Int: Field to store lipinskidon info
    Default: LipinskiDon
  • LipinskiFail Out Field (out_lipinski_fail_field) type: Field Type: Int: Field to store lipinskifail info
    Default: LipinskiFail
  • LocalStrain Out Field (out_local_strain_field) type: Field Type: Float: Field to store localstrain info
    Default: Local Strain
  • None (out_mol_field) type: Field Type: Chem.Mol:
  • p(active) Out Field (out_pactive_field) type: Field Type: Float: Field to store pactive info
    Default: p(active)
  • RingCt Out Field (out_ring_field) type: Field Type: Int: Field to store ringct info
    Default: RingCt
  • Ring Ratio Out Field (out_ring_ratio_field) type: Field Type: Float: Field to store ringratio info
    Default: RingRatio
  • Rotors Out Field (out_rotors_field) type: Field Type: Int: Field to store rotors info
    Default: Rotors
  • Shape Out Field (out_shape_field) type: Field Type: Float: Field to store shape info
    Default: shape
  • tPSA Out Field (out_tpsa_field) type: Field Type: Float: Field to store tpsa info
    Default: tPSA
  • XLogP Out Field (out_xlogp_field) type: Field Type: Float: Field to store xlogp info
    Default: XLogP

Hardware Parameters

Machine hardware requirements
  • Memory (MiB) (memory_mb) type: decimal: The minimum amount of memory in MiBs (1048576 B) this cube requires. Due to overhead, request a couple hundred MiB more than required.
    Default: 1800 , Min: 256.0, Max: 8589934592
  • Shared Memory (MiB) (shared_memory_mb) type: decimal: The amount of shared memory to allow a container to address
    Default: 64
  • Temporary Disk Space (MiB) (disk_space) type: decimal: The minimum amount of disk space in MiB (1048576 B) this cube requires. Due to overhead, request a couple hundred MiB more than required.
    Default: 5120.0 , Min: 128.0, Max: 8589934592
  • GPUs (gpu_count) type: integer: The number of GPUs to run this cube with
    Default: 0 , Max: 16
  • CPUs (cpu_count) type: integer: The number of CPUs to run this cube with
    Default: 1 , Min: 1, Max: 128
  • Instance Type (instance_type) type: string: The type of instance that this cube needs to be run on
  • Spot policy (spot_policy) type: string: Control cube placement on spot market instances
    Default: Prohibited
    Choices: Allowed, Preferred, NotPreferred, Prohibited, Required
  • Instance Tags (instance_tags) type: string: Only run on machines with matching tags (comma separated)
    Default: “”

Metrics Parameters

Cube Metric Parameters
  • Metric Period (None) type: decimal: How often to sample metrics, in seconds
    Default: 60
    Choices: 1, 5, 10, 30, 60, 120, 180, 240, 300, Min: 1, Max: 300
  • Cube Metrics (None) type: string: Set of metrics to be collected

    Choices: cpu, disk, memory, network