Rotatable bond generation: Torsional diffusion In this work, following conventions from previous contributions in the context of small molecules , we consider a bond to be rotatable if it connects two non-terminal atoms in the chemical graph. In this step, we generate the remaining degrees of freedom, the torsion angles of rotatable bonds, using a DGM to model potentially complex multi-modal distributions. We choose this DGM to be a diffusion model . Torsion angles lie on the circle and therefore the set of torsions of rotatable bonds within a molecule lies on a hyper-torus. Previous work adapted the formalism of diffusion models to operate on this Riemannian manifold . Based on this work, Torsional Diffusion , a diffusion model tailored for modeling torsions, was proposed. One of the main innovations behind Torsional Diffusion is the use of 3D-aware torsional updates which are invariant to the choice of reference atoms. Moreover, a new model architecture exploiting symmetries around rotatable bonds, the Pseudo-Torque layer, was introduced. In this work, we use Torsional Diffusion as a model for torsion angles around rotatable bonds.