Module utilities

Structs§

aa1to_int
aa3to1
calculate_cb: Get Pseudo CB
cat_neighbors_nodes
compute_nearest_neighbors: Retrieve the nearest Neighbor of a set of coordinates. Usually used for CA carbon distance.
create_backbone_mask_37: Input coords. Output 1 <batch x 1 > Tensor representing whether each residue has all 4 backbone atoms. note that the internal ordering is different between backbone only [N/CA/C/O] and all-atom [N/CA/C/CB/O]….
cross_product: Custom Cross-Product Fn.
gather_edges: Gather_edges Features [B,N,N,C] at Neighbor indices [B,N,K] => Neighbor features [B,N,K,C]
gather_nodes: Gather Nodes
gather_nodes_t
get_nearest_neighbours
int_to_aa1
linspace
linspace_f32
topk_last_dim