Shawn

How to reproduce data/dual_gsk3_jnk3/gsk3_best_rationales.txt and data/dual_gsk3_jnk3/jnk3_best_rationales.txt?

to determine which pairs of points from either cloud correspond

2

This function does not attempt to determine which pairs of points from either cloud correspond. Instead, it infers them from the order of the arrays. I wonder if there exisits...

end-to-end PPI affinity prediction

1

Great work! But I wonder whether your method support end-to-end PPI affinity prediction (i.e., input a pair of protein sequence and output PPI affinity)?

in model_angelo/utils/grid.py, func make_model_angelo_grid, global_origin[0] -= shift[0] * voxel_size global_origin[1] -= shift[1] * voxel_size global_origin[2] -= shift[2] * voxel_size