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ur-whitelab
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nmrgnn
Graph neural network for predicting NMR chemical shifts
MIT License
48
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8
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Could not find matching concrete function to call from SavedModel
#21
JHlozek
opened
1 year ago
0
Batching
#20
whitead
closed
2 years ago
1
MSD vs RMSD in README
#19
whitead
closed
2 years ago
1
New Layer Idea
#18
whitead
closed
2 years ago
0
Small Molecule
#17
whitead
closed
2 years ago
1
add emoji
#16
ziyueyang37
closed
3 years ago
0
Bumbed MDAnalysis to 2.0
#15
whitead
closed
3 years ago
0
Doesn't feel special right now
#14
whitead
closed
3 years ago
1
Things which are broken
#13
whitead
closed
3 years ago
1
Add Progress Bar
#12
whitead
closed
3 years ago
0
Release
#11
whitead
closed
3 years ago
0
Made it possible to parse whole trajectory
#10
whitead
closed
3 years ago
0
Enable trajectory input
#9
whitead
closed
3 years ago
1
Check whole protein in check_validty
#8
whitead
closed
3 years ago
1
Pin Dependencies
#7
whitead
closed
3 years ago
1
Bug in library.py
#6
ziyueyang37
closed
3 years ago
0
Release
#5
whitead
closed
3 years ago
0
Going public
#4
whitead
closed
3 years ago
0
Models
#3
whitead
closed
3 years ago
0
Keras tuner
#2
ziyueyang37
closed
4 years ago
0
Implement model in keras and unbatch
#1
ziyueyang37
closed
4 years ago
0