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akensert
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molgraph
Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
https://molgraph.readthedocs.io/en/latest/
MIT License
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Parallelize training in multiple GPUs.
#28
soulios
opened
1 week ago
3
Training based on the output of GradCAM?
#27
vcanogil
closed
3 months ago
2
Planning for next models implementation
#26
thegodone
closed
2 months ago
4
Cannot save model as specified in the documentation
#25
RaphaelRobidas
closed
1 month ago
9
Node level learning?
#24
vcanogil
closed
4 months ago
3
Clean up code.
#23
ThinhUMP
closed
7 months ago
3
Outputting saliency maps
#22
vcanogil
closed
1 year ago
7
GraphTransformer may explode
#21
thegodone
closed
1 year ago
2
how to add an additional mol feature in the graphTensor
#20
thegodone
closed
9 months ago
13
how to add additional atom_features on top of existing one
#19
thegodone
closed
1 year ago
4
nan in loss with those molecules
#18
thegodone
closed
1 year ago
4
model summary returns only multiple
#17
thegodone
closed
9 months ago
4
OCHEM integration
#16
thegodone
closed
9 months ago
3
attentive FP
#15
thegodone
closed
1 year ago
2
unit tests
#14
thegodone
closed
1 year ago
2
Positional Encoding questions ?
#13
thegodone
closed
1 year ago
1
OCHEM integration: Apply on new datataset
#12
thegodone
closed
1 year ago
7
OCHEM integration: pickle preprocessing
#11
thegodone
closed
1 year ago
1
Do you have a resnet equivalent of GraphTensor
#10
thegodone
closed
1 year ago
3
is there a way to go a deep clone copy of the graphTensor ?
#9
thegodone
closed
1 year ago
1
adding PharmaHGT
#8
thegodone
closed
9 months ago
2
Adding a GAE example
#7
thegodone
closed
9 months ago
44
Mask edge or node during training only to do on the fly graph augmentation
#6
thegodone
closed
1 year ago
15
Adding the Edge features in GIN (GINE)
#5
thegodone
closed
1 year ago
5
Adding AttentiveFP model
#4
thegodone
closed
1 year ago
9
Do you have a directed graph implementation like DiGIN or ChemProp ?
#3
thegodone
closed
1 year ago
5
Does code can work with tensorflow-macos / tensorflow-devs / tensorflow-metal ?
#2
thegodone
closed
1 year ago
0
GATv2
#1
dtchang
closed
2 years ago
1