Output

• For CSVs:
  • The pop-up “Job submitted” appears at the top of the job queue
  • The submitted jobs appear in the queue (figure 2) with the status started
  • The user can view the information about the job submitted in “Show” inside the “Job Details” header
  • The status of the job:
    • “STARTED”: The job has been submitted and is running
    • “FAILURE”: The job has failed due to a technical error internally
    • “SUCCESS”: The job has been completed successfully
  • In the actions sections the user can visualise/download the generated molecules
  • Delete/Cancel: The user can optionally delete or stop the submitted jobs

Figure 2: Job submission in single SMILES input

• For single SMILES string input:
  • For a successfully submitted job, “Leader Models Running” pops up at the top in blue
  • The completed job’s “Leader request finished successfully” green pop-up appears at the top of the page (figure 3).
  • Press “Click Here” to visualise the generated molecules

Figure 3: Job submission in single SMILES input

• Visualisation Tabs:
  • Molecules:
    • Filters: The user can apply column-wise filters to each of the columns
    • Export: to download the output molecules as csv
    • Columns: User-friendly interface to show/hide properties to be shown
    • Density: The user can change the compactness of the table
    • Molecule Tiles: Comfortable Visualization of the generated molecule structures unlike their table counterparts

• Grid View:
  • Takes the user to the molecular structure cards interface for visualisation
• Back:
  • It takes the user back to the main page of the Leader
• Stats :
  • Graphical visualisation of the generated molecules’ properties to understand the distribution and relevance of generated molecules.