Issues
- 2
bond angle(?) issue
#31 opened by sistar2020 - 2
Problem with color-highlighted image
#30 opened by sistar2020 - 4
How to generate Synthetic data using ChemDraw? & How to randomly change bond length using Indigo?
#27 opened by yyaaa1 - 0
Dependency versions
#29 opened by supersciencegrl - 0
Some question about failure in recognization
#28 opened by sunyrain - 0
- 0
Bump Pip Version
#25 opened by O-Schilter - 2
Better performance when not using multiprocessing
#14 opened by tobbber - 0
- 2
- 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 opened by DaXia-Yang - 3
regarding stereochemistry
#15 opened by shubbey - 1
- 7
- 3
Running in a Jupyter notebook works nicely. Running as a .py causes my computer to freeze due to insane cpu usage.
#12 opened by willfinnigan - 1
Generating molecules
#19 opened by path-to-freedom - 2
- 3
Correct metrics to compare with the paper?
#18 opened by rytheranderson - 1
我发现后处理的一个BUG
#16 opened by Waterdrop-One - 2
How to convert Raw_SMILES to SMILES
#11 opened by freewind2213 - 0
- 8
RuntimeError: one of the variables needed for gradient computation has been modified by an inplace operation
#7 opened by qbKhanh - 1
Molfile preprocess code
#8 opened by KirigiriSuzumiya - 5
cannot import name 'safe_rotate_enlarged_img_size' from 'albumentations.augmentations.geometric.functional'
#6 opened by qbKhanh - 6
- 0
- 2
file vocab/vocab_chars.json not available
#1 opened by molden