igashov/DiffLinker
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
PythonMIT
Issues
- 0
Can Difflinker do scaffold decoration?
#14 opened by ziyueyang37 - 1
Larger segments as input
#13 opened by ivandon15 - 1
can I run cpu mode to generate linkers?
#10 opened by wenchangzhou-qtx - 0
- 1
sascorer.py calls removed RDkit module - ModuleNotFoundError: No module named 'rdkit.six'
#11 opened by rsherhod - 6
- 0
The format of the fragment file
#9 opened by YunyaJiang - 2
Question:given the limitation of pocket but without limitataion of --anchors
#8 opened by MachineGUN001 - 5
- 1
I can't download these models
#6 opened by YunyaJiang - 0
AttributeError: can't set attribute
#3 opened by DimGorr - 2
About input fragment file and anchors
#2 opened by dwbaron - 2
How to sample with protein backbones??
#1 opened by orgw