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jlaw9
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crystal-gnn
Work in progress on graph neural networks for crystal energy prediction
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find crystals that relax with small cosine distance from a prototype with a different composition type
#5
pstjohn
closed
1 year ago
0
Include the rest of the DFT relaxations
#4
jlaw9
opened
2 years ago
0
cluster based on fingerprint distance and composition type
#3
pstjohn
closed
1 year ago
0
More informative decoration labels
#2
jlaw9
opened
2 years ago
1
Differences in DFT relaxation
#1
jlaw9
closed
2 years ago
1