Published March 16, 2026 | Version 2026.3.15
Software Open

Plug-in for SEAMM to allow custom python scripts in flowcharts

Authors/Creators

  • 1. Molecular Sciences Software Institute

Description

Provides a step in a flowchart for the user to add a Python script which will run in the current environment, giving access to the internal variables of SEAMM as well as the structures.

Notes

Funding including NSF OAC-1547580 and CHE-2136142 grants

Files

molssi-seamm/custom_step-2026.3.15.zip

Files (344.4 kB)

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Additional details

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