issues
search
TUM-DAML
/
gemnet_pytorch
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
https://www.daml.in.tum.de/gemnet
Other
184
stars
29
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
The code that predicts on the test set?
#15
Xuxuduoyu
closed
1 year ago
1
Question about creating graph
#14
xnuohz
closed
1 year ago
3
Question about basis functions used
#13
jiali1025
closed
1 year ago
2
Gradients from analytical differentiation
#12
LeonardoBarneschi
closed
1 year ago
1
the dihedral angle difinition
#11
wang1215789
closed
2 years ago
1
Question about pretrained weights
#10
okin1234
closed
2 years ago
2
Package installation throws errors
#9
n-gao
closed
2 years ago
3
Reproducing Questions
#8
chao1224
closed
2 years ago
1
Some questions regarding reducing the size of both input and model?
#7
smiles724
closed
2 years ago
3
Question about the gradient of positions
#6
smiles724
closed
2 years ago
1
Refactor and fix DataLoader
#5
gasteigerjo
closed
2 years ago
0
A potential bug in data_provider.py
#4
gyfastas
closed
2 years ago
1
QM9 dataset
#3
smiles724
closed
3 years ago
1
Error at line 287 in basis_layers.py
#2
exapde
closed
3 years ago
1
Coll dataset
#1
Borisnaz
closed
3 years ago
2