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HannesStark
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EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
MIT License
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Does EquiBind supports given binding site?
#22
jooewood
closed
2 years ago
1
ValueError: list.remove(x): x not in list in process_mols.py line 692, in get_geometry_graph
#21
moritzschaefer
closed
2 years ago
2
Error when run get_receptor_inference
#20
SejeongPark8354
closed
2 years ago
6
[Question] Graph representations
#19
rhjohnstone
closed
2 years ago
1
run within certain box
#18
avnikonenko
closed
2 years ago
1
Duplicate of Issue #13 + The `model_type` parameter in .yml config files
#17
avnikonenko
closed
2 years ago
6
Demo run failed
#16
zhentg
closed
2 years ago
2
Could you provide QuickVina2 and Smina finetuning script?
#15
lkfo415579
closed
2 years ago
4
Wonder about the training phrase (whole required training time, etc)
#14
CiaoHe
closed
2 years ago
4
Only ligand sdf file is generated
#13
gezmi
closed
2 years ago
2
Potential improvement through avoiding DGL TensorDispatcher error
#12
PatWalters
closed
2 years ago
2
Support for multi-ligand SDF files
#11
slochower
closed
2 years ago
3
Paper Typo
#10
slochower
closed
2 years ago
1
Inference on my own PDB throws receptor error.
#9
JSLJ23
closed
2 years ago
4
Question regarding DGL
#8
JSLJ23
closed
2 years ago
1
Problem with pdb file input
#7
AlexExplorer1
closed
2 years ago
4
joblib Parallel issue with specific complex '3m1s' in the PDBBind data
#6
luwei0917
closed
2 years ago
13
Update pdbbind.py
#5
luwei0917
closed
2 years ago
1
dgl issue
#4
mariolovric
closed
2 years ago
2
Not able to run with python 2. DGL-cuda without CUDA GPU.
#3
GsGithub17
closed
2 years ago
12
Create LICENSE
#2
HannesStark
closed
2 years ago
0
Add LICENSE file
#1
peterbygrave
closed
2 years ago
1
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