issues
search
atomistic-machine-learning
/
schnetpack-gschnet
G-SchNet extension for SchNetPack
MIT License
43
stars
8
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Updates for version 1.1.0
#15
NiklasGebauer
closed
1 month ago
0
Error while running the example of “gschnet_qm9”
#14
gengzhx
closed
1 month ago
4
Some confusion about training other properties on custom data
#13
ldhkc
closed
2 months ago
5
Clarification on Atom Types Limitation and Customization
#12
DDDIGHE
closed
6 months ago
20
Train the model to be conditioned on alpha
#11
DDDIGHE
closed
7 months ago
2
Model training
#10
ldhkc
closed
7 months ago
16
training error about default config "experiment=gschnet_qm9"
#9
sxy759334746
closed
9 months ago
2
generated molecules have broken chain structures?
#8
qinhaigen
closed
1 year ago
5
Version incompatibility
#7
Hanxiaoze
closed
1 year ago
5
What is the exact version number of pytorch, pytorch_lightning, hydra-core, hydra-colorlog, ase and python?
#6
Hanxiaoze
closed
1 year ago
1
Relative position vectors?
#5
ameya98
closed
1 year ago
2
pretrained models
#4
aswanthkrishna
closed
1 year ago
2
Training seems stuck?
#3
ameya98
closed
1 year ago
8
SchNetPack/PyTorch Dependency Conflicts
#2
shaychaudhuri
closed
1 year ago
3
Center positions on focus during generation
#1
Jiaran
closed
1 year ago
1