Torsional-GFN, a conditional GFlowNet with a new graph network, samples torsion angles of small molecules to approximate the Boltzmann distribution, with partial generalization to unseen local structures.
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Torsional-GFN: a conditional conformation generator for small molecules
Torsional-GFN, a conditional GFlowNet with a new graph network, samples torsion angles of small molecules to approximate the Boltzmann distribution, with partial generalization to unseen local structures.