/tools/ConfGF

ConfGF

DeepGraphLearning/ConfGF

172 stars38 forksPythonAdded February 5, 2026
summary

ConfGF is an implementation of Learning Gradient Fields for generating molecular conformations. It provides tools for training models on molecular datasets and generating conformations from SMILES representations, making it useful for molecular design and related applications.

description

Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

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