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Issues list

Dubious mapping case
#48 by parit was closed Nov 9, 2023
2
use get_attention_guided_atom_maps on generic compound
#46 by steven-bioinfo was closed Aug 2, 2023
1
if the atom mapping is invalid, should we remove this reaction when trainning model?
#45 by yangxfei was closed Jul 27, 2023
2
Error while generating Atom-atom mapping
#40 by parit was closed May 11, 2023
1
pip error with python 3.11
#37 by tduigou was closed Mar 24, 2023
1
13
Can you share the code to reproduce the figure 4(A)?
#35 by jaewanlee93 was closed Jan 12, 2023
2
Can not reproduce the result of Fig 4.
#34 by jaewanlee93 was closed Dec 4, 2022
2
Imbalanced Stoichiometry/ Missing Atom Mapping
#28 by JHucker was closed Oct 12, 2022
2
rxn module not present in 0.2.0 release -- ModuleNotFoundError
#27 by JHucker was closed Sep 14, 2022
3
Training dataset of rxnmapper?
#23 by Sunggi99 was closed Jul 18, 2022
1
Cannot run on M1 Mac
#21 by ruslankotl was closed Dec 22, 2021
ValueError when processing reaction smiles
#20 by pgg1610 was closed Dec 8, 2021
2
segmentation fault
#19 by sergeismolnikov was closed Sep 22, 2021
3
Script to finetune model?
#18 by chaoyan1037 was closed Aug 28, 2021
1
False atom mapping result.
#16 by queliyong was closed Aug 20, 2021
2
Request: All source code to reproduce will be contained in this repository?
#15 by tsnguyen05 was closed Aug 18, 2021
1
AttributeError: 'SmilesTokenizer' object has no attribute 'max_l
#13 by longthanhta was closed Jun 23, 2021
4
atom mapping for some reaction is error, how to fix this probrom
#12 by xiaoqiangsheng2016 was closed Oct 11, 2022
4
If a low confidence score means that the obtained mapped_rxn is invalid and can not use it?
#11 by queliyong was closed Apr 22, 2021
2
Error when installing from PIP
#10 by villalbamartin was closed Jan 5, 2021
5
Boolean index did not match
#8 by vmarar was closed Oct 16, 2020
2
Boolean index did not match
#7 by vmarar was closed Oct 15, 2020
why not use AlbertForMaskedLM to load the model path?
#5 by autodataming was closed Jun 11, 2020
1
what's the value of the per_gpu_train_batch_size in the process of trainning the model?
#3 by autodataming was closed Jun 3, 2020
1
does the vocab.txt come from the training file "uspto_all_reactions_training.txt"?
#2 by autodataming was closed May 29, 2020
1
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