Layne-Huang PMDM issues

Layne-Huang / PMDM

MIT License

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issues

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ZeroDivisionError: division by zero

#43 maple0leaves closed 2 hours ago
1
Need sampled molecules

#42 explorer1212 opened 2 days ago
1
Please consider adding a LICENSE file

#41 RuikangSun closed 2 weeks ago
1
Http://www.BindingMOAD.org This domain has expired.

#40 laee10 closed 2 weeks ago
3
RuntimeError: mat1 and mat2 shapes cannot be multiplied (389x10 and 8x128)

#39 Bigrock-dd closed 2 minutes ago
4
OverflowError: can't convert negative value to unsigned int

#38 Kartinaa opened 1 month ago
2
AttributeError: 'Namespace' object has no attribute 'savedir'

#37 maple0leaves closed 1 month ago
1
Problem while creating the environment : "ess error: ERROR: Could not find a version that satisfies the requirement torch-cluster= ...

#36 nfloquet opened 1 month ago
6
cannot get date in Data preparation

#35 Linzy19 closed 2 weeks ago
3
installing question

#34 DM0815 closed 1 month ago
21
Mol dependencies

#33 1saacRankin closed 3 months ago
0
miss data/2VUKcut10/2VUKcut10_pocket.pdb

#32 TimothyChen225 closed 3 months ago
0
Description of cut pocket process

#31 ReddysLab closed 1 month ago
3
There is no prepare_receptor4.py in the evaluation/ directory

#30 ReddysLab closed 1 month ago
1
There is no evaluate.py function

#29 ReddysLab closed 1 month ago
1
Read ligand sdf file error

#28 xiangwenkai opened 4 months ago
0
mat1 and mat2 shapes cannot be multiplied (389x10 and 8x128)

#27 chefbaker4 closed 4 months ago
2
How to generate bond

#26 HITzhongyu closed 1 month ago
2
How to sample small molecules for a specific pocket in a PDB file？

#25 Yuhan-Fei opened 5 months ago
2
How to generate .lmdb and .pt file before training?

#24 Yuhan-Fei closed 5 months ago
1
sample_linker doesn't add atoms totally in the broken site

#23 BLEACH366 opened 6 months ago
2
sample_for_pdb.py error

#22 kathyli2023 closed 1 month ago
3
Unexpected Results in Sampling for Custom Pockets

#21 nickyoungforu opened 6 months ago
5
No matching distribution found for mkl==2017.0.3

#20 CADDfarmer closed 3 days ago
1
Inquiry on Utilizing Your Trained Model for Molecule Generation in Protein Pockets

#19 gibhdyw closed 1 month ago
7
Code Issue

#17 HITzhongyu closed 7 months ago
1
sample_frag.py doesn't keep the seed frag fixed

#16 BLEACH366 closed 6 months ago
9
Training loss does not decrease

#15 Xinheng-He opened 7 months ago
6
Training loss does not decrease

#14 Xinheng-He closed 7 months ago
0
Some packages in mol.yml are incorrect, such as cudatoolkit, geometric, scatter, etc

#13 Lumen97 closed 2 months ago
1
ValueError: too many values to unpack (expected 2)

#12 Kartinaa closed 7 months ago
7
Bugs in sample_linker.py

#11 FeilongWuHaa closed 7 months ago
4
fail to run sample_for_pdb.py

#10 MachineGUN001 closed 7 months ago
16
Inquiry about GPU Memory Requirements for Running Pre-trained Model

#9 OrientCCC closed 7 months ago
3
generate novel molecules from a seed fragment using sample_frag.py

#8 wenchangzhou-qtx closed 7 months ago
13
checkpoint file for testing

#7 wenchangzhou-qtx closed 7 months ago
8
Missing File for training

#6 kskim-phd closed 2 months ago
3
ImportError, libtorch_cuda.so: undefined symbol

#5 kolmorgan closed 7 months ago
17
ModuleNotFoundError: No module named 'utils.sample'

#4 MKCarter closed 7 months ago
1
Missing geometry.py in the models folder when sample molecules for given customized pockets

#3 FeilongWuHaa closed 7 months ago
2
Missing File in Training Process

#2 ghost closed 7 months ago
1
About mol.yml

#1 ghost closed 7 months ago
2