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luwei0917
/
DynamicBind
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
MIT License
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Test example takes forever
#33
agarrubio
opened
1 week ago
0
Segmentation Faut (core dumped)
#32
Anupam-5
opened
1 week ago
0
Specifying multiple ligands simultaneously
#31
faraguna-ginkgo
opened
1 month ago
0
Results intepretation for HTS ranking
#30
Le-Phung-Hien
opened
1 month ago
1
RuntimeError: no cross edge found
#29
zersalsion
opened
1 month ago
0
Can not run DynamicsBind due to Error
#28
GM-33
opened
2 months ago
0
Does the coarse-grained representation remove double/triple bonds in ligands?
#27
ballaneypranav
opened
2 months ago
1
Metal ions
#26
minws13
closed
2 months ago
1
Movie generation ligand protein clashes
#25
Jnelen
opened
3 months ago
0
GPU requirements
#24
MorganCThomas
closed
3 months ago
2
Could not find the MDT dataset
#23
bwang-ecnu
opened
3 months ago
0
problem: No compatible CUDA device is available
#22
CLG68
opened
4 months ago
0
How to import ligand with "name" column in ligand.csv
#21
stan1233
opened
4 months ago
3
No such file or directory: 'data/PDBBind_af2_aligned.csv'
#20
wangjx22
opened
5 months ago
0
parser.add_argument('--relax_python', type=str, default='/home/zhangjx/anaconda3/envs/relax/bin/python', help='point to the python in relax env.')
#19
wangjx22
closed
5 months ago
0
Question of the coordinate difference between the given ".sft/.pdb" files and the original ".sft/.pdb" files
#18
resistzzz
opened
5 months ago
1
What is the data group "remove" in the given "d3_with_clash_info.csv" file?
#17
resistzzz
opened
5 months ago
1
ValueError: zero-size array to reduction operation minimum which has no identity
#16
shafayetrahat
opened
5 months ago
0
pro_ema_inference_epoch138_model.pt missing
#15
cjy818github
opened
5 months ago
1
Results analysis
#14
chemgirl97
closed
5 months ago
3
Error messages and pro_ema_inference_epoch138_model.pt not found
#13
CLG68
closed
5 months ago
5
File not found: pro_ema_inference_epoch138_model.pt
#12
phupe
closed
6 months ago
3
relax environment issues
#11
wangy9711
closed
6 months ago
1
No Output Files Saved in results/test Directory After run_single_protein_inference.py Execution
#10
yukisoya
opened
6 months ago
1
Questions about no 'workdir' and trained models
#9
zzz14
opened
6 months ago
2
Questions about retraining DynamicBind
#8
Nobody-Zhang
opened
6 months ago
0
ImportError: DLL load failed while importing rdmolfiles:
#7
JeongSooNa
opened
8 months ago
1
No module named 'parmed.utils.six.moves'
#6
surendraphd
opened
8 months ago
0
error, while running
#5
surendraphd
closed
7 months ago
1
Latest Weights?
#4
bio-rat
closed
9 months ago
1
OSError: libc10_cuda.so: cannot open shared object file: No such file or directory
#3
bio-rat
closed
9 months ago
0
Missing code
#2
amrhamedp
closed
8 months ago
1
预印本中的问题
#1
2023ComputBio
closed
1 year ago
3