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- ams-ideas-in-action Public
Executable notebooks for running AMS calculations and exploring literature-inspired computational chemistry and materials science workflows
SCM-NV/ams-ideas-in-action’s past year of commit activity - infretis Public Forked from infretis/infretis
A python library for replica exchange transition interface sampling with infinite swaps
SCM-NV/infretis’s past year of commit activity - nano-qmflows Public
Package containing several workflows to compute molecular properties for nanomaterials
SCM-NV/nano-qmflows’s past year of commit activity - qmflows Public
This library tackles the construction and efficient execution of computational chemistry workflows
SCM-NV/qmflows’s past year of commit activity
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