connorcoley rexgen_direct issues

connorcoley / rexgen_direct

Template-free prediction of organic reaction outcomes

GNU General Public License v3.0

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Using the trained models

#26 Sidharth309 closed 8 months ago
0
did not match C++ signature

#25 zAuk000 closed 2 years ago
0
How to decide on values of NK and NK0?

#24 gnsrivastava opened 3 years ago
11
Error when trying to train in core-wln-global

#23 gnsrivastava closed 3 years ago
9
training WLDN model

#22 YH-88 opened 3 years ago
14
How do I deal with wild cards when creating reaction templates?

#21 gnsrivastava opened 3 years ago
6
value overwrite

#20 LanceKnight opened 3 years ago
4
Unsuccessful TensorSliceReader constructor

#19 YunchaoLiu closed 3 years ago
1
What is the cBond_detailed training dataset for WLDN model

#18 YunpengCai opened 4 years ago
1
How to use our data for atomic mapping？

#17 YH-88 closed 3 years ago
14
I can't train successfully by using command in rexgen_direct/core_wln_global/notes.txt

#16 sstary closed 4 years ago
1
Google Colab

#15 sudarshangc opened 4 years ago
1
ModuleNotFoundError: No module named 'rexgen_direct'

#14 c10211 opened 4 years ago
2
AttributeError: module 'tensorflow' has no attribute 'placeholder'

#13 c10211 closed 4 years ago
2
Where is equation 3 in code?

#12 amrhamedp closed 4 years ago
0
“AxisError: axis 2 is out of bounds for array of dimension 0”

#11 SLZWVICTOR opened 4 years ago
0
Atom-mapping from Lowe's Data

#10 WesleyyC closed 5 years ago
6
AttributeError: 'NoneType' object has no attribute 'GetAtoms'

#9 Karunakar444 opened 5 years ago
13
No module named 'edit_mol_direct_useScores'

#8 Karunakar444 opened 5 years ago
2
coverage.py script

#7 alexisdriscoll opened 5 years ago
1
How do you balance reaction stoichiometry?

#6 bionicles opened 5 years ago
4
Q: Do I need to end the training process manually?

#5 GhostSteven opened 5 years ago
3
How can we get the bond breaking and forming information (numbers at the end of each reaction) from our own smiles datesets?

#4 Frank-LIU-520 opened 5 years ago
21
Q: get_product_smiles highly imperfect

#3 amineebenamor closed 5 years ago
1
Q: What is the meaning of numbers at the end of each reaction in datesets?

#2 zhoujuncsu opened 5 years ago
3
Error while trying to train the model

#1 SachinAgrawal123 closed 6 years ago
1