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luost26
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3D-Generative-SBDD
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
MIT License
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Clarification on Pocket2Mol model training with CrossDocked2020 dataset
#25
mahmoud-ekhani
opened
1 year ago
1
Issues about vina score calculation in docking.py
#24
Layne-Huang
closed
2 years ago
1
add torch version specification in installation instruction
#23
zyx5256
closed
1 year ago
1
Run sample.py failed: OSError: libc10_cuda.so: cannot open shared object file: No such file or directory
#22
zyx5256
opened
2 years ago
1
generated molecules seem to be short
#21
orgw
closed
2 years ago
0
Could you share the codes of 'Linker Prediction' parts?
#20
tbwxmu
closed
2 years ago
2
How to evaluate the model?
#19
Layne-Huang
closed
2 years ago
1
where is crossdocked_pocket10_name2id.pt??
#18
orgw
closed
2 years ago
1
Add sampling scripts for PDB files.
#17
luost26
closed
2 years ago
0
IndexError: list index out of range
#16
Layne-Huang
closed
2 years ago
0
FileNotFoundError: [Errno 2] No such file or directory: './data/crossdocked_pocket10_name2id.pt'
#15
Layne-Huang
closed
2 years ago
1
error in sample.py
#14
futianfan
opened
2 years ago
1
how to generate molecule from my protein?
#13
Neo-Flash
closed
2 years ago
2
Reproducibility is not guaranteed
#12
lg2840
closed
2 years ago
1
The index of the dataset
#11
ChengchengGutenTag
opened
2 years ago
0
can not run the sample.py
#10
waitma
closed
2 years ago
8
Fail to load state dict when running sample.py
#9
fyabc
closed
2 years ago
3
关于pocket文件的问题
#8
Saoge123
closed
2 years ago
3
Information about dataset
#7
ss62171
opened
2 years ago
0
Generated ligand poses are not in the protein pocket
#6
hjuinj
closed
2 years ago
10
How to test the program by our own system
#5
YuxiuLiu
closed
2 years ago
4
Cannot get valid molecule from running sample.py for a long time
#4
simmed00
opened
2 years ago
14
data_id的取值
#3
YuxiuLiu
closed
2 years ago
0
How to determine if the generated atoms/bonds are aromatic or not?
#2
mengliu1998
closed
2 years ago
2
Source code
#1
HBioquant
closed
2 years ago
1