thomas0809 MolScribe issues

thomas0809 / MolScribe

Robust Molecular Structure Recognition with Image-to-Graph Generation

MIT License

153 stars 31 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

chore: implemented dynamic adjustment of num_workers. updated gitignore

#32 alexey-krasnov opened 1 month ago
0
bond angle(?) issue

#31 sistar2020 closed 2 months ago
2
Problem with color-highlighted image

#30 sistar2020 opened 2 months ago
2
Dependency versions

#29 supersciencegrl opened 4 months ago
0
Some question about failure in recognization

#28 sunyrain opened 4 months ago
0
How to generate Synthetic data using ChemDraw? & How to randomly change bond length using Indigo?

#27 yyaaa1 closed 4 months ago
4
Options for Not Expanding Abbreviated Structures During Prediction

#26 zuhalcakir opened 4 months ago
0
Bump Pip Version

#25 O-Schilter opened 6 months ago
0
Discrepancy Between SMILES and Corresponding Image in `acs.csv`

#24 puchapu opened 7 months ago
0
fixes #22

#23 eloyfelix opened 7 months ago
0
molscribe hangs indefinetly with .tif file from USPTO grant red book

#22 nbosc opened 8 months ago
2
当一个batch中，推理两条完全一样的图片，产生的结果不一致。

#21 DaXia-Yang closed 8 months ago
2
fix a bug about case like (CH2)5

#20 Waterdrop-One opened 10 months ago
0
Generating molecules

#19 path-to-freedom opened 10 months ago
1
Correct metrics to compare with the paper?

#18 rytheranderson closed 10 months ago
3
Make multiprocessing configurable and disable by default

#17 tobbber closed 8 months ago
2
我发现后处理的一个BUG

#16 Waterdrop-One opened 10 months ago
1
regarding stereochemistry

#15 shubbey closed 8 months ago
3
Better performance when not using multiprocessing

#14 tobbber closed 7 months ago
2
USPTO images missing for the "small" train script

#13 rytheranderson opened 10 months ago
2
Running in a Jupyter notebook works nicely. Running as a .py causes my computer to freeze due to insane cpu usage.

#12 willfinnigan opened 1 year ago
3
How to convert Raw_SMILES to SMILES

#11 freewind2213 closed 1 year ago
2
Bad Result when trying to train model with input is images

#10 qbKhanh opened 1 year ago
0
感谢你开源的MolScribe模型，已经试用了，准确性还不错。想请教一下，关于分子位置检测有推荐的开源模型吗？

#9 SnailWhb closed 8 months ago
7
Molfile preprocess code

#8 KirigiriSuzumiya closed 1 year ago
1
RuntimeError: one of the variables needed for gradient computation has been modified by an inplace operation

#7 qbKhanh closed 1 year ago
8
cannot import name 'safe_rotate_enlarged_img_size' from 'albumentations.augmentations.geometric.functional'

#6 qbKhanh closed 1 year ago
5
Update setup.py

#5 hanzlika closed 1 year ago
0
Images that do not contain chemical structures are less effective

#4 echo0218 closed 8 months ago
1
Installation error- "Building wheel for grpcio (setup.py) ... error"

#3 sberthel opened 1 year ago
0
Please release the code about generating *.csv file for uspto_mol dataset

#2 wanghan0501 closed 1 year ago
6
file vocab/vocab_chars.json not available

#1 molden closed 1 year ago
2