ardigen MAT issues - Githubissues

ardigen / MAT

The official implementation of the Molecule Attention Transformer.

MIT License

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issues

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load_data_from_df function extremely slow on M2 Macbook Pro

#21 syedzayyan opened 1 year ago
0
UFFTYPER: Unrecognized charge state for atom

#20 Ericmututu opened 1 year ago
0
No library found for "Adapter" function

#19 tanmayGIT opened 1 year ago
0
What the shape of the edge features?

#18 kobebranyt opened 2 years ago
0
Finding attention scores for self-attention visualisation

#17 nigelnnk opened 2 years ago
0
Reproducing performance on downstream tasks

#16 jk3472 opened 2 years ago
0
Provide a more complete example for training and inference?

#15 nmra-rzotti opened 4 years ago
1
CUDA error: an illegal memory access was encountered

#14 SK124 opened 4 years ago
0
Access Feature vector

#13 SK124 opened 4 years ago
0
Undefined "Adapter"

#12 sooheon closed 4 years ago
2
Question re: pretrained weights

#11 sooheon closed 4 years ago
4
mol_collate_func potential bug

#10 genec1 closed 4 years ago
1
README referenced `load_weights.ipynb` gone

#9 genec1 closed 4 years ago
1
Benchmark against chemprop

#8 jmswaney opened 4 years ago
1
How is invariance to order of atoms in the molecule achieved?

#7 tsjain closed 4 years ago
1
How to run Training loop using random search?

#6 Jh-SYSU closed 4 years ago
1
Adding a License file

#5 rbharath closed 4 years ago
2
Why not using the Rdkit function "AllChem.Get3DDistanceMatrix" for distance matrix calculation Method

#4 DovahCoding closed 4 years ago
2
Assistance needed for running model

#3 genec1 closed 4 years ago
9
"In Regression Tasks The Property Value Was Standardized"

#2 lilleswing closed 4 years ago
1
Dataset Splits

#1 lilleswing closed 4 years ago
3