/tools/CGCF-ConfGen

CGCF-ConfGen

MinkaiXu/CGCF-ConfGen

46 stars16 forksPythonAdded February 8, 2026
summary

CGCF-ConfGen is a tool for generating molecular conformations using neural generative dynamics. It allows users to train models and generate multiple conformations for molecules, making it useful for molecular design and optimization tasks.

description

:test_tube: Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)

topics

moleculeconformation-generationiclriclr2021conformerconformationpytorch

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