/tools/oeommtools

oeommtools

oess/oeommtools

14 stars1 forksPythonAdded February 8, 2026

summary

OEOMMTools is a collection of tools designed to integrate the OpenEye Toolkit with the OpenMM API, facilitating molecular simulations and conformer generation. It includes functionalities for solvation and molecular packing, making it useful for computational chemistry applications.

description

Tool collection to integrate and mix OpenEye and OpenMM

topics

toolsopenmmoe-toolkit

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