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microsoft
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Graphormer
Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Error with customized dataset
#147
aofchas
opened
1 year ago
2
Example does not work - Segmentation fault
#146
doloresgarcia
closed
1 year ago
3
Question about edge attention
#145
WangYong-Design
closed
1 year ago
2
windows cannot run bash
#144
yingtaoluo
opened
1 year ago
0
About atoms and nodes
#143
monsteryi0314
opened
1 year ago
7
Puzzled about the calculation of energy MAE loss
#142
whu-dft
closed
1 year ago
3
About attention bias padding in collator.py
#141
Voldet
closed
1 year ago
1
About GraphormerPYGDataset’s __getitem__
#140
monsteryi0314
opened
1 year ago
0
If I want to debug fairseq-train how do I do it?
#139
htdepot
opened
1 year ago
3
About edge_attr_type
#138
monsteryi0314
opened
1 year ago
2
About Periodic boundary condition invariance
#137
Huni-ML
opened
1 year ago
0
Argument edge_type
#136
paridhimaheshwari2708
opened
1 year ago
1
3D graphormer model on PCQM4M-v2
#135
Sangyeup
opened
1 year ago
3
fix pretrained model path & param name
#134
mavisguan
closed
1 year ago
0
Graphormer module
#133
paridhimaheshwari2708
opened
1 year ago
10
Update graph_prediction.py
#132
chrisxu2016
closed
1 year ago
0
graph_prediction.py calls the EpochShuffleDataset method with wrong parameters name
#131
chrisxu2016
closed
1 year ago
1
Issue running `bash zinc.sh` after fresh install (Ubuntu)
#130
JacobHelwig
opened
1 year ago
2
Can't load the pretrain model
#129
wen19shui
opened
1 year ago
7
Molecule-level features
#128
Jaceyjc
opened
1 year ago
1
Reproducing ZINC result with v2
#127
chjjma
opened
1 year ago
5
Modified model architecture
#126
mavisguan
opened
2 years ago
1
ImportError: No module named setuptools
#125
Austinzhenghua
opened
2 years ago
4
error: command ':/usr/local/cuda/bin/nvcc' failed: No such file or directory
#124
Austinzhenghua
opened
2 years ago
3
OverflowError: can't convert negative value to unsigned int
#123
JiaYuanChng
closed
2 years ago
3
unexpected pos 317662336 vs 317662228
#122
czczup
closed
2 years ago
0
fix bug in shortest path
#121
shiyu1994
closed
2 years ago
0
Simple/Basic tutorial
#120
Jaceyjc
opened
2 years ago
4
Bugfix: Stop Floyd-Warshall algorithm dropping node 0 from paths
#119
jndean
closed
2 years ago
0
I want to rewrite the grapher model into a generative model, but I don't have any ideas now.
#118
xuan197
opened
2 years ago
0
run_ zinc. sh: line 26: 648 aborted (core dumped)
#117
xuan197
opened
2 years ago
2
An error occurs"TypeError: 'type' object is not subscriptable" when I run an example。
#116
tbontbiaq
opened
2 years ago
4
question about edge feature encoding
#115
YJiangcm
closed
1 year ago
2
fix bootstrap lock
#114
dreaming-panda
closed
2 years ago
0
What is the maximum number of nodes a graphormer can handle?
#113
skye95git
opened
2 years ago
8
CUDA Error when adding new GIN model
#112
MatthewCYM
opened
2 years ago
0
Example script hangs without output
#111
ayushnoori
opened
2 years ago
4
Cannot Assign Requested Address
#110
Gzhang-umich
opened
2 years ago
1
Errors while running Graphormer V2 on MolPCBA
#109
ZhuYun97
closed
2 years ago
1
How to convert the molecular graph in SDF/JSON format to the input of graphormer?
#108
mengmeng34
opened
2 years ago
4
How to train Graphormer for autoregressive task?
#107
rifatarefin
opened
2 years ago
1
Remove duplicate entries
#106
rifatarefin
opened
2 years ago
0
[Bug] Load Pre-trained Graphormer-3d from OC20
#104
zhengsx
opened
2 years ago
0
can not reproduce PCQM4M-LSC results
#103
chaoyan1037
opened
2 years ago
12
How can I train my new dataset?
#102
viko-3
opened
2 years ago
3
The collator function in collator.py will drop samples in train dataset, even validation/test dataset ?
#101
GangLii
opened
2 years ago
2
No response after running the example scripts
#100
skye95git
closed
2 years ago
15
Example script hanging without any output or any error hint.
#99
seonwoo-min
closed
2 years ago
8
Why degree centrality encoding helps?
#98
chaoyan1037
closed
2 years ago
2
About the results on ogbp-pcba in the process of finetune
#97
zhangdan0602
opened
2 years ago
3
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