wangyu-sd RetroExplainer issues

wangyu-sd / RetroExplainer

RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability

MIT License

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Inquiry about Adaptations in Retro* for One-Step Model in RetroExplainer

#17 danielFarfan18 opened 1 month ago
0
Pytorch-lightning version issue

#16 HowardLi1984 opened 3 months ago
0
how to assemble

#15 Honllin opened 5 months ago
0
Couldn't find a multistep prediction with the same setting in README.md

#14 Cello2195 opened 6 months ago
0
requirements.txt missing

#13 venukm opened 6 months ago
1
TypeError: stat: path should be string, bytes, os.PathLike or integer, not NoneType

#12 28YOGESH opened 8 months ago
0
练50K数据集生成的leaving_group的维度与测试时的维度不匹配

#11 l727248517 opened 10 months ago
2
how to generate 228 size leaving_group.pt with USPTO50K

#10 295825725 opened 10 months ago
0
ct_prob和batch[ct_target]数量不匹配

#9 starhou opened 10 months ago
6
some issues found when trying to process data

#8 yz103 closed 5 months ago
4
the check_reac function is missing

#7 zhuhr213 closed 5 months ago
1
Unable to download reaction type unknown model (uspto50k)

#6 Garhorne0813 closed 1 year ago
1
is it possible to predict topk routes?

#5 hongxianglics closed 1 year ago
3
shape of checkpoint doesn't match(might be wrongly uploaded?)

#4 hongxianglics closed 1 year ago
2
ImportError: cannot import name 'MultiStepDataset' from 'data.datasets'

#3 hongxianglics closed 1 year ago
2
access denied

#2 hongxianglics closed 1 year ago
2
wrong check points

#1 hongxianglics closed 1 year ago
1