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divelab
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MoleculeX
GNU General Public License v3.0
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Final Prediction
#12
Fireflower-March
opened
5 months ago
0
Do you provide the code to build the model to predict 3D coordinates?
#11
gregory-kyro
closed
6 months ago
0
PyTorch installation may be too old
#10
mahuahuahua
opened
10 months ago
1
MoleculeX/Molecule3D/preprocess/mols2sdf.py 代码中 没有看到 path = '/mnt/dive/shared/kaleb/Datasets/PubChemQC/utils/list_of_valid_mol_dirs2.pkl'
#9
bugatti742
opened
2 years ago
0
TypeError: __inc__() takes 3 positional arguments but 4 were given
#8
WGDMS
opened
2 years ago
3
"There is no edge, we should give an empty tensor to edge_attr. Molecule is in row: 2"
#7
WGDMS
closed
2 years ago
0
Descriptors, descriptor generator not installed
#6
WGDMS
closed
2 years ago
0
Conformer Screening
#5
hansen7
opened
3 years ago
1
Could you provide trained models?
#4
htlee6
closed
3 years ago
3
MoleculeKit name
#3
stefdoerr
closed
3 years ago
1
String models exploit biases in MoleculeNet SMILES dialect to inflate performance
#2
cyrusmaher
opened
3 years ago
0
Create moleculenet_pro directory if it doesn't exist
#1
borao
closed
4 years ago
0