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pengxingang
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Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
MIT License
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Is is possible to fine-tune the model?
#41
ziyueyang37
opened
2 months ago
0
Is it required to train the models before using or can use pre-trained model?
#40
GattiMh
opened
6 months ago
0
Error Encountered in Molecule Sampling Using PDB File
#39
gibhdyw
opened
7 months ago
0
Initialization failed issue
#38
NiteshGit123
opened
8 months ago
1
Preprocessing required for sampling for a pdb file
#37
NiteshGit123
closed
9 months ago
2
protein_root setting
#36
zkysfls
opened
1 year ago
1
Skipping in training
#35
lajictw
opened
1 year ago
4
Argparse regression
#34
nakker
opened
1 year ago
1
Receptors containing metal ions at binding sites
#33
jionghang
opened
1 year ago
1
sampling issues
#32
MachineGUN001
closed
1 year ago
2
GPU not used when running sample_for_pdb.py
#31
xy127
opened
1 year ago
1
Give permission to create branches?
#30
VincentBt
closed
1 year ago
0
train::ERROR] Runtime Error Pin memory thread exited unexpectedly
#29
caiyingchun
opened
1 year ago
1
Differences between sample.py and sample_for_pdb.py
#28
VincentBt
opened
1 year ago
1
AttributeError: 'NoneType' object has no attribute 'knn_graph'
#27
caiyingchun
closed
1 year ago
2
Question about training time
#26
schjr
closed
1 year ago
2
TypeError: cannot pickle 'generator' object
#25
zhangxiaofan-star
opened
1 year ago
5
Problem about gpu memory
#24
pearl-rabbit
closed
1 year ago
2
Non E(3) equivariant model issue
#23
yangxiufengsia
closed
1 year ago
4
ValueError in Loading dataset...
#22
hxu105
opened
1 year ago
5
Clarification on Pocket2Mol model training with CrossDocked2020 dataset
#21
mahmoud-ekhani
closed
1 year ago
2
About distribution of angles and dihedral angels
#20
ljl123ljl
opened
1 year ago
1
Is Pocket2Mol able to generate pockets
#19
MaranathaC
closed
1 year ago
1
Evaluation with different training poses?
#18
ljl123ljl
opened
1 year ago
3
About reproduction of evaluation
#17
tolearnmuch
opened
1 year ago
4
Non-Equivariant BatchNorm
#16
oriondollar
opened
1 year ago
2
about the KL divergence
#15
BL-Lac149597870
closed
1 year ago
4
Question about CPU usage
#14
SejeongPark8354
opened
1 year ago
1
Sub-structure evaluation
#13
GRAPH-0
closed
1 year ago
4
ERROR: Could not sanitize molecule ending on line 77
#12
pearl-rabbit
closed
1 year ago
1
The results of general properties of the molecules
#11
ALEEEHU
closed
2 years ago
2
Controlling Ligand Size
#10
CoryKornowicz
closed
1 year ago
3
The initial ligand
#9
1121091694
opened
2 years ago
2
Error training, pre-trained models
#8
cmahervir
closed
2 years ago
1
Issues about the vina score
#7
Layne-Huang
closed
2 years ago
1
sample issue
#6
amarye
closed
2 years ago
1
can't convert negative int to unsigned
#5
YAndrewL
closed
2 years ago
3
The loss of MDN is negative
#4
Saoge123
closed
2 years ago
2
Regarding the evaluation
#3
SeulLee05
closed
2 years ago
3
I want to use your tools but i found that there was a missing file named 'crossdocked_pocket10_name2id.pt' from the folder './data/'
#2
Qmi3
closed
2 years ago
6
Create LICENSE
#1
pengxingang
closed
2 years ago
0