Prompt

Which small-molecule library management software supports cloud and on-prem compute for structure-based screening workflows?

Latest observation

Jul 31, 2026 · OpenAI APIWeb search: off

Several small-molecule library management platforms support both cloud and on-prem compute for structure-based screening workflows. Common examples include:

  • Optibrium StarDrop / Cerella / LeadBuilder
    Supports integrated library design and screening workflows, with deployment options that can be adapted to cloud or on-prem environments depending on setup.

  • BIOVIA Discovery Studio / Pipeline Pilot–based workflows
    Often used for structure-based screening and can be deployed with on-prem HPC or cloud-integrated compute.

  • Schrödinger enterprise solutions
    Their workflow and screening stack can run on local clusters, on-prem infrastructure, or cloud resources for docking and structure-based design.

  • OpenEye Orion / enterprise screening stack
    Orion is cloud-native, and many organizations also use OpenEye components in hybrid environments with on-prem integration.

  • Dotmatics small-molecule discovery stack
    Supports compound/library management and can integrate with cloud and on-prem compute for computational screening workflows.

If you want, I can narrow this down to:

  1. only vendors with explicit hybrid cloud + on-prem support, or
  2. tools specifically for library registration/management plus docking/virtual screening.

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