This is the main code base for the Research Project: Discrete Time E(n) Equivariant Normalising Flows for Molecular Generation at Imperial. This project aims to improve on the results of E(n) Equivariant Normalising Flows from Satorras et al. 2021.
The graph directory contains the code archive for the molecular graph generation and the pointcloud directory contains the code archive for the molecular point cloud generation.
Complete results and logs can be accessed at Wandb