binghong-ml retro_star issues

binghong-ml / retro_star

Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search

MIT License

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issues

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How can I get proc_all_cano_smiles_w_tmpl.csv

#25 Mitsuhiro-Uesugi opened 3 weeks ago
0
How to develop a custom model for one-step retrosynthesis using Retro*

#24 danielFarfan18 opened 2 months ago
0
I found a hidden problem

#23 xiaoqiangsheng2016 opened 6 months ago
0
How does value in val_mol_fp_value_step.pt caculate?

#22 sjtuchem opened 1 year ago
0
How to visualize the obtained results (predicted synthetic routes)

#21 MachineGUN001 opened 1 year ago
0
Training and validation routes

#20 aced125 opened 1 year ago
2
output topk routes

#19 hongxianglics opened 1 year ago
1
Template df

#18 steveowk opened 1 year ago
0
enable pip install with git

#17 hcji closed 2 years ago
0
The entire route cost?

#16 Tiantao2000 opened 2 years ago
0
Some questions about the dataset USTPO

#15 hhhhzzzzz opened 3 years ago
0
Template extractor missing

#14 laurent3577 closed 3 years ago
1
Dataset splits

#13 aielawady closed 3 years ago
2
how to work with the output

#12 csulok closed 3 years ago
3
Questions about the dataset used for training MLP and planning routes

#11 junsu-kim97 closed 3 years ago
3
how to build the route training input from the routes

#10 eacwecwecd opened 3 years ago
1
Question about getting the best entire route cost before ValueMLP network is ready

#9 Mike575 opened 3 years ago
3
Question about tree search implementation

#8 SGenheden closed 3 years ago
2
Update rdchiral dependency

#7 cthoyt opened 4 years ago
0
Simplify rdchiral installation

#6 cthoyt opened 4 years ago
3
Host data on Zenodo

#5 cthoyt opened 4 years ago
1
Run the model just for one-step planning

#4 h-midlothian closed 4 years ago
2
License missing

#3 SGenheden opened 4 years ago
1
Details of construction for synthesis routes dataset

#2 hankook closed 4 years ago
6
ModuleNotFoundError: No module named 'retro_star.model'

#1 Jh-SYSU closed 4 years ago
2