schrojunzhang KarmaDock issues

schrojunzhang / KarmaDock

https://www.nature.com/articles/s43588-023-00511-5

Apache License 2.0

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issues

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unresonable result occur, why?

#26 songyu2022 opened 3 months ago
2
IndexError: list index out of range

#25 AIM132 opened 4 months ago
0
Model weights trained based on time-split PDBBind dataset division

#24 VicFisher opened 4 months ago
0
mdn_score_pred changes across different trails

#23 lindsey98 opened 6 months ago
0
screening results poses

#22 CLG68 closed 6 months ago
1
运行ligand_docking.py文件时，实例化模型前后测试集中数据为什么发生了变化！！！

#21 ljxabc opened 7 months ago
1
Issues related to generate graphs

#20 AIM132 opened 7 months ago
1
如何产生一个pkl文件？

#19 Dr-F-Arthur opened 7 months ago
0
蛋白质口袋未知，如何进行虚拟筛选

#18 PinzhuoWu opened 9 months ago
0
Typos & Request

#17 zhongxiang117 opened 9 months ago
1
Error on Residues Distances

#16 zhongxiang117 opened 9 months ago
0
pocket为空

#15 hhh12345678990 opened 9 months ago
0
Why not use torch.scatter_reduce_ instead of the third-party pytorch_scatter operator

#14 GuWei007 opened 9 months ago
1
Update README.md

#13 Type59pro opened 9 months ago
0
Peptide docking

#12 gc-js opened 10 months ago
0
是否可以进行多配体对接？

#11 zfzzfzzfz opened 10 months ago
0
Does the karmadock code in the repository work on windows 10?

#10 MachineGUN001 opened 11 months ago
0
Molecule does not have explicit Hs. Consider calling AddHs()

#9 Lyases opened 11 months ago
1
the meaning of score?

#8 songyu2022 closed 11 months ago
1
Functionality for arbitrary protein-ligand pair docking

#7 isty2e opened 1 year ago
0
Meanings of "align_corrected", "ff_corrected" and "uncorrected"

#6 Yueming-Yin closed 1 year ago
2
Steric clash in docking result file

#5 Le-Phung-Hien opened 1 year ago
0
Dependencies versions

#4 Jameel9 closed 1 year ago
3
Subject: Performance Issues with Virtual Screening Algorithm

#3 STM32F103C8T6 closed 1 year ago
3
Using KarmaDock for virtual screening

#2 Le-Phung-Hien closed 1 year ago
1
模型权重问题

#1 HBioquant closed 1 year ago
5