m1k2zoo/2D-3DConformerGNN
This repository contains the implementation of a novel approach using graph neural networks for 3D conformer generation, leveraging pretraining on 2D molecular graphs.
PythonMIT
No issues in this repository yet.
This repository contains the implementation of a novel approach using graph neural networks for 3D conformer generation, leveraging pretraining on 2D molecular graphs.
PythonMIT
No issues in this repository yet.