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MinkaiXu
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GeoDiff
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
MIT License
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Producing local edge embeddings by global edge encoder
#31
joneswong
opened
1 week ago
0
could you please upgrade the version of the code to fit the new version of pyg ? i always get the error,.
#30
nmsl121381
opened
5 months ago
0
Data object was created by an older version of PyG
#29
lajictw
opened
10 months ago
2
reproduce the results of the paper
#28
jia-975
opened
10 months ago
2
Image/structure from pkl file
#27
Adamya113
opened
1 year ago
0
I got errors when training the code
#26
jinzhuwei
opened
1 year ago
1
Wrong double-bond configuration of generated conformer
#25
Serious-Huang
opened
1 year ago
0
Question about zero CoM
#24
AndChenCM
opened
1 year ago
0
Sample process
#23
waitma
opened
1 year ago
0
About the evaluation result
#22
CaptainCuong
closed
1 year ago
4
Generating Conformers from SMILES
#21
dhruv-acog
opened
1 year ago
1
The process of molecular production is too slow.
#20
JackAILab
opened
1 year ago
12
test.py，How do you specify a specific molecule simles to generating？
#19
lonngxiang
opened
1 year ago
4
Questions about the rescale problem
#18
Frankie123421
opened
1 year ago
2
m_{ij} notation in GNN architecture
#17
CaptainCuong
closed
1 year ago
1
Global and Local structure
#16
CaptainCuong
opened
1 year ago
3
strange thing when sampling
#15
mayz20
closed
1 year ago
1
Question about the theory in the paper
#14
Frankie123421
closed
1 year ago
12
protein conformation
#13
orgw
closed
1 year ago
1
Typo in get_edge_encoder
#12
natolambert
closed
1 year ago
1
Disagreement with paper
#11
EDAPINENUT
closed
1 year ago
6
Why use AddHigherOrderEdges() in sampling but not in training?
#10
Layne-Huang
closed
1 year ago
6
参数设置
#9
shoujiang
closed
2 years ago
2
pos_ref and 3D visualization issues
#8
Layne-Huang
closed
2 years ago
0
Question about GFN and GeoDiff-A Implementation
#7
lyzustc
closed
2 years ago
2
Using GeoDiff on mac
#6
danielm322
closed
1 year ago
1
Provide data process script
#5
Layne-Huang
closed
2 years ago
4
I got errors when training the code
#4
nickspark
closed
1 year ago
15
The package version is too old
#3
nickspark
closed
1 year ago
1
Edge encoder shared between global and local
#2
torfjelde
closed
1 year ago
4
Can not open the google drive download link for preprocessed dataset
#1
klightz
closed
2 years ago
2