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36 Open 10 Closed
36 Open 10 Closed
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Issues list

size mismatch when load chembl-pretrained ckpt
#51 opened Nov 23, 2023 by wuyongyi
Preprocess Error————————Broken pipe
#50 opened Nov 1, 2023 by yuzhou2333
If anyone has done fine tuning, please share environment.yaml
#49 opened Aug 25, 2023 by rokieplayer20
1
ZeroDivisionError when size smaller than 1000 using single mode
#48 opened Jul 25, 2023 by phys-chem
vocab size of data/chembl/vocab.txt: 5623, but when get_vocab.py the new vocab.txt is 5625
#47 opened Jul 13, 2023 by bsaldivaremc2
3
Finetune result interpretation
#46 opened Jul 4, 2023 by orubaba
Some motifs in generated vocabulary are not parseable for rdkit
#45 opened Nov 11, 2022 by suyufeng
Pretrained chembl model requires old rdkit
#44 opened Jul 18, 2022 by roselightheart
2
AssertionError
#43 opened Jul 17, 2022 by orubaba
12
TypeError: forward() missing 2 required positional arguments: 'y_orders' and 'beta'
#42 opened Jul 11, 2022 by amir-tagh
2
TypeError: can't convert cuda:0 device type tensor to numpy. Use Tensor.cpu() to copy the tensor to host memory first
#40 opened Jun 22, 2022 by amir-tagh
2
Getting error while running pip install .
#39 opened Jun 10, 2022 by Shredderroy
3
IndexError: tuple index out of range
#38 opened Jun 7, 2022 by amir-tagh
12
Unrecognized arguments: --nsamples 1000
#36 opened May 8, 2022 by gtteixeira
1
README error
#34 opened Apr 28, 2022 by muammar
7
how to convert the chembl checkpoint kept file to an binary format
#32 opened Dec 16, 2021 by erbb2
All assm_labels are zero?
#31 opened Dec 1, 2021 by Luckick
Question about constraint optimization
#29 opened Nov 4, 2021 by Lung-Yi
Question Polymer Data
#28 opened Aug 25, 2021 by vthost
Vocabulary
#27 opened Aug 24, 2021 by vthost
chemprop_model details
#26 opened Jun 11, 2021 by gdev7
2
Regarding relation between train_pairs.txt and mol.txt
#25 opened Jun 10, 2021 by saurav211292
Chem.Kekulize(mol) error
#24 opened Jun 10, 2021 by Nokimann
3
Extracting latent vector for a molecule
#21 opened May 21, 2021 by michal-pikusa
5
Why does the model select the first motif embedding as the whole molecule embedding?
#19 opened Feb 19, 2021 by goznxn
2
ProTip! Follow long discussions with comments:>50.