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atomistic-machine-learning
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G-SchNet
G-SchNet - a generative model for 3d molecular structures
MIT License
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Better way to indicate that this repo is deprecated
#10
JacksonBurns
closed
1 year ago
1
Upgrading to SchNetPack v2.0?
#9
ameya98
closed
1 year ago
1
Question about the Training Time
#8
ameya98
closed
1 year ago
1
Issues about using custom dataset
#7
Layne-Huang
closed
1 year ago
1
how to calculate homo lumo gap of a new molecule generated by your model?
#6
sjchasel
closed
2 years ago
1
Concern about bias in each batch
#5
wxx07
closed
3 years ago
2
A bug in get_default_neighbors func
#4
wxx07
closed
3 years ago
2
'AtomwiseWithProcessing' object has no attribute 'stress'
#3
wxx07
closed
4 years ago
2
How to choose max_dist?
#2
wxx07
closed
4 years ago
4
About current tokens in get_random_walk func
#1
wxx07
closed
4 years ago
2