keiradams / SQUID

Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"

keiradams/SQUID Issues

No suitable seed found
Updated 2 months ago2
Trouble running SQUID
Updated 4 months ago
generated molecules is too Divergent,can't apply to drug design
Updated a year ago
installation eror
Closed a year ago
encoding custom molecules
Closed a year ago1
get_starting_seeds returns nothing
Closed a year ago2
The initial ligand
Updated a year ago
Issues with data construction
Updated a year ago2
Issues with Dataset
Closed a year ago1
Reproduce Results
Updated a year ago3
Generating new molecules
Updated a year ago3