Layne-Huang PMDM issues

Layne-Huang / PMDM

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issues

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mat1 and mat2 shapes cannot be multiplied (389x10 and 8x128)

#27 chefbaker4 opened 5 days ago
0
How to generate bond

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

#25 Yuhan-Fei opened 1 month ago
2
How to generate .lmdb and .pt file before training?

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

#23 BLEACH366 opened 1 month ago
1
sample_for_pdb.py error

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

#21 nickyoungforu opened 1 month ago
4
No matching distribution found for mkl==2017.0.3

#20 CADDfarmer opened 2 months ago
1
Inquiry on Utilizing Your Trained Model for Molecule Generation in Protein Pockets

#19 gibhdyw opened 2 months ago
7
Code Issue

#17 HITzhongyu closed 2 months ago
1
sample_frag.py doesn't keep the seed frag fixed

#16 BLEACH366 closed 1 month ago
9
Training loss does not decrease

#15 Xinheng-He opened 2 months ago
6
Training loss does not decrease

#14 Xinheng-He closed 2 months ago
0
Some packages in mol.yml are incorrect, such as cudatoolkit, geometric, scatter, etc

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

#12 Kartinaa closed 2 months ago
7
Bugs in sample_linker.py

#11 FeilongWuHaa closed 2 months ago
4
fail to run sample_for_pdb.py

#10 MachineGUN001 closed 2 months ago
16
Inquiry about GPU Memory Requirements for Running Pre-trained Model

#9 OrientCCC closed 2 months ago
3
generate novel molecules from a seed fragment using sample_frag.py

#8 wenchangzhou-qtx closed 2 months ago
13
checkpoint file for testing

#7 wenchangzhou-qtx closed 2 months ago
8
Missing File for training

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

#5 kolmorgan closed 2 months ago
17
ModuleNotFoundError: No module named 'utils.sample'

#4 MKCarter closed 2 months ago
1
Missing geometry.py in the models folder when sample molecules for given customized pockets

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

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

#1 ghost closed 2 months ago
2