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gnina
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BSD 3-Clause "New" or "Revised" License
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Bad performance when there is no RMSD information
#66
Dadiao-shuai
opened
9 months ago
2
how to solve: Check failed: end < layers_.size() (-1 vs. 0)
#65
PengfeiFang-sioc
closed
10 months ago
4
Update README.md
#64
dkoes
closed
11 months ago
0
default ITERATIONS dismatch
#63
JonasLi-19
closed
11 months ago
1
Issues about --allfolds result
#62
JonasLi-19
opened
11 months ago
1
eval model
#61
Dadiao-shuai
closed
11 months ago
3
--allfolds KeyError
#60
SanFran-Me
closed
11 months ago
6
Error when using train.py draw final plot
#59
JonasLi-19
closed
11 months ago
3
Details in train.py output
#58
JonasLi-19
opened
1 year ago
21
system has unsupported display driver / cuda driver combination
#57
Dadiao-shuai
closed
11 months ago
14
TypeError: Couldn't build proto file into descriptor pool
#56
Dadiao-shuai
closed
1 year ago
2
No caffe
#55
Kerro-junior
closed
1 year ago
3
How to create protein XXX_nowat.pdb and correct gninatypes files
#54
gaoshan2006
opened
1 year ago
3
How to create ligand UFF optimized and minimized poses ?
#53
gaoshan2006
closed
1 year ago
5
error when running train.py
#52
croshong
closed
1 year ago
2
How to create cache/types file for multiple receptors and ligands for PDBbind dataset?
#51
JonasLi-19
closed
1 year ago
4
How does percent_reduced reduce the dataset?
#50
Kerro-junior
closed
1 year ago
3
questions about generate_unique_lig_poses.py
#49
JonasLi-19
closed
1 year ago
1
No valided stratified example error
#48
croshong
opened
1 year ago
11
I have a question about how to training using train.py.
#47
HyungSik-Jo
closed
2 years ago
4
Any examples for generating a gninatypes file?
#46
HyungSik-Jo
closed
2 years ago
6
RuntimeError: invalid device function in train.py
#45
HyungSik-Jo
closed
2 years ago
2
Francoep patch 2
#44
francoep
closed
2 years ago
0
Adversary
#43
snaveesh
closed
2 years ago
0
Dependencies: Caffe
#42
CHANG-Shaole
closed
1 year ago
87
Is there a model template of redock_default2018 model?
#41
lkfo415579
closed
3 years ago
8
Update README.md
#40
francoep
closed
3 years ago
0
Added script for extending types files
#39
francoep
closed
4 years ago
0
Adding pipeline for counter example generation
#38
francoep
closed
4 years ago
0
Updating evaluate_cross.py
#37
francoep
closed
4 years ago
0
Added cleaner support if all affinities are <=0
#36
francoep
closed
4 years ago
0
Pymol arrows
#35
mattragoza
closed
4 years ago
0
Secondary bug
#34
francoep
closed
4 years ago
0
Bug fix for last Change
#33
francoep
closed
4 years ago
0
Fix evaluation for 'none' receptor
#32
francoep
closed
4 years ago
2
Add lower threshold for pymol arrows
#31
RMeli
closed
5 years ago
0
Low memory combine_rows
#30
RMeli
closed
4 years ago
0
Open files in context
#29
RMeli
closed
5 years ago
0
Fix needing RMSD
#28
francoep
closed
5 years ago
0
Adding grid_visualization
#27
francoep
closed
5 years ago
0
Fixes for clustering pipeline
#26
RMeli
closed
5 years ago
0
fixed files for pickle to be binary files
#25
francoep
closed
5 years ago
0
fixed file for pickle.dump
#24
francoep
closed
5 years ago
0
Add support for my uff_min poses in reduce_results
#23
francoep
closed
5 years ago
0
Updates to Train.py
#22
francoep
closed
5 years ago
0
changed combine_fold_results.py and corresponding call in train.py
#21
amritan1707
closed
5 years ago
0
Fixed formatting in README
#20
francoep
closed
5 years ago
0
Updating Clustering scripts
#19
francoep
closed
5 years ago
0
Update train.py
#18
francoep
closed
5 years ago
2
Update predict.py to reflect changes from train.py
#17
francoep
closed
5 years ago
0
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