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AIforGreatGood
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charge3net
Higher-order equivariant neural networks for charge density prediction in materials
https://www.nature.com/articles/s41524-024-01343-1
MIT License
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No such file or directory: outputdir/.npy.npy
#9
AlexanderAntropov
opened
1 week ago
3
MP Download Fix
#8
teddykoker
closed
3 weeks ago
0
mpi-api version issue
#7
arupmondal835
closed
1 week ago
7
`torch.compile` support ?
#6
mitkotak
opened
2 months ago
0
RuntimeError：The number of scaling factors must be 1 or 3.
#5
kk154
opened
3 months ago
6
Adding QM9 NMC preprocessing instructions and splits
#4
keeganq
closed
3 months ago
0
About QM9 and NMC training
#3
kk154
closed
3 months ago
3
return: MPRester' object has no attribute 'charge_density'
#2
kk154
closed
3 months ago
3
Predicted CHGCAR for VASP
#1
vsumaria
closed
4 months ago
3