Ecosyste.ms: Issues

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GitHub / luost26/3d-generative-sbdd issues and pull requests

#25 - Clarification on Pocket2Mol model training with CrossDocked2020 dataset

Issue - State: open - Opened by mahmoud-ekhani almost 2 years ago - 1 comment

#24 - Issues about vina score calculation in docking.py

Issue - State: closed - Opened by Layne-Huang over 2 years ago - 1 comment

#23 - add torch version specification in installation instruction

Pull Request - State: closed - Opened by zyx5256 over 2 years ago - 1 comment

#21 - generated molecules seem to be short

Issue - State: closed - Opened by orgw almost 3 years ago

#20 - Could you share the codes of 'Linker Prediction' parts?

Issue - State: closed - Opened by tbwxmu almost 3 years ago - 2 comments

#19 - How to evaluate the model?

Issue - State: closed - Opened by Layne-Huang almost 3 years ago - 1 comment

#18 - where is crossdocked_pocket10_name2id.pt??

Issue - State: closed - Opened by orgw almost 3 years ago - 1 comment

#17 - Add sampling scripts for PDB files.

Pull Request - State: closed - Opened by luost26 almost 3 years ago

#16 - IndexError: list index out of range

Issue - State: closed - Opened by Layne-Huang almost 3 years ago

#14 - error in sample.py

Issue - State: open - Opened by futianfan almost 3 years ago - 1 comment

#13 - how to generate molecule from my protein?

Issue - State: closed - Opened by Neo-Flash almost 3 years ago - 2 comments

#12 - Reproducibility is not guaranteed

Issue - State: closed - Opened by lg2840 almost 3 years ago - 1 comment

#11 - The index of the dataset

Issue - State: open - Opened by ChengchengGutenTag almost 3 years ago

#10 - can not run the sample.py

Issue - State: closed - Opened by waitma almost 3 years ago - 8 comments

#9 - Fail to load state dict when running sample.py

Issue - State: closed - Opened by fyabc almost 3 years ago - 3 comments

#8 - 关于pocket文件的问题

Issue - State: closed - Opened by Saoge123 almost 3 years ago - 3 comments

#7 - Information about dataset

Issue - State: open - Opened by ss62171 almost 3 years ago

#6 - Generated ligand poses are not in the protein pocket

Issue - State: closed - Opened by hjuinj almost 3 years ago - 10 comments

#5 - How to test the program by our own system

Issue - State: closed - Opened by YuxiuLiu almost 3 years ago - 4 comments
Labels: enhancement

#4 - Cannot get valid molecule from running sample.py for a long time

Issue - State: open - Opened by simmed00 almost 3 years ago - 14 comments

#3 - data_id的取值

Issue - State: closed - Opened by YuxiuLiu almost 3 years ago

#2 - How to determine if the generated atoms/bonds are aromatic or not?

Issue - State: closed - Opened by mengliu1998 about 3 years ago - 2 comments

#1 - Source code

Issue - State: closed - Opened by HBioquant about 3 years ago - 1 comment