Is the autoencoders ligand encoding by Robin Winter
Is the use of these two outputs : we use Carlos project and compare its accuracy when using standard fingerprints and the output from cddd
Introduces another embedding method closed to hand crafted features and benchmark it against previous USR techniques on the DUDE DB
Do similar task as rna-ligand for proteins pockets. Returns pockets representations either using 3D point clouds or graphs Implements the ligand list extraction tool to produce dict/csv : ligand , embedding
##CONV3D Learning pipeline from pockets to ligand representations obtained through cddd