Prompt
Which small-molecule library management software supports cloud and on-prem compute for structure-based screening workflows?
Latest observation
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:
- only vendors with explicit hybrid cloud + on-prem support, or
- tools specifically for library registration/management plus docking/virtual screening.
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