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MaterSim
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PyXtal_FF
Machine Learning Interatomic Potential Predictions
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A unified db file for the training dataset
#16
qzhu2017
closed
4 years ago
1
mini-batch is very slow and takes a lot of memory
#15
qzhu2017
closed
4 years ago
17
cuda in NN is not working
#14
qzhu2017
closed
4 years ago
1
stress training in EAMD is not working
#13
qzhu2017
closed
4 years ago
2
Version Releases
#12
qzhu2017
closed
4 years ago
1
Example script for Bispectrum will not work
#11
David-Zagaceta
closed
4 years ago
1
@numba.njit
#10
yanxon
closed
5 years ago
6
[SNAP] Force doesn't fit well for Si
#9
yanxon
closed
4 years ago
1
LAMMPS 2019 gets rid of diagonal feature in sna/atom command
#8
yanxon
closed
5 years ago
0
Why does the SNAP bispectrum calculation need LJ potential?
#7
yanxon
closed
4 years ago
0
[ToDo] Implement Scipy(Diff. Evolutionary Algorithm)
#6
yanxon
closed
5 years ago
3
MAE is too large.
#5
yanxon
closed
5 years ago
1
Add the option to fit the force
#4
qzhu2017
closed
5 years ago
0
[ToDo] Try NAG
#3
yanxon
closed
4 years ago
0
Low Predictability
#2
yanxon
closed
5 years ago
1
[Issue] fix data root
#1
yanxon
closed
5 years ago
1
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