README.md

eqgat-diff

This repository serves as placeholder.
The codebase is stored in eqgat_diff/ directory.

Below, we show some sampling trajectories from our models. The corresponding .gif files can be found in the assets/ directory.

Unconditional Sampling Trajectory

Conditional Sampling Trajectory on maximized polarizability

Conditional Sampling Trajectory on minimized polarizability

Conditional Sampling Trajectory on a fixed protein pocket