wengong-jin/hgraph2graph

Issues

• Key error during preprocesssing

  #18 opened 4 years ago by WillButAgain
  6

• size mismatch when load chembl-pretrained ckpt

  #51 opened 7 months ago by wuyongyi
  0

• Preprocess Error————————Broken pipe

  #50 opened 8 months ago by yuzhou2333
  0

• PicklingError("Can't pickle <class 'Boost.Python.ArgumentError'>: import of module 'Boost.Python failed")'

  #33 opened a year ago by orubaba
  7

• Finetune result interpretation

  #46 opened a year ago by orubaba
  0

• AssertionError

  #43 opened 2 years ago by orubaba
  12

• If anyone has done fine tuning, please share environment.yaml

  #49 opened 10 months ago by rokieplayer20
  1

• Out-of-memory occurs at preprocessing training data

  #22 opened 3 years ago by hwidong-na
  2

• vocab size of data/chembl/vocab.txt: 5623, but when get_vocab.py the new vocab.txt is 5625

  #47 opened a year ago by bsaldivaremc2
  3

• ZeroDivisionError when size smaller than 1000 using single mode

  #48 opened a year ago by phys-chem
  0

• chemprop_model details

  #26 opened 3 years ago by gdev7
  2

• Getting error when run vae_train.py

  #17 opened 4 years ago by SejeongPark8354
  4

• TypeError: forward() missing 2 required positional arguments: 'y_orders' and 'beta'

  #42 opened 2 years ago by amir-tagh
  2

• Some motifs in generated vocabulary are not parseable for rdkit

  #45 opened 2 years ago by suyufeng
  0

• Getting error while running pip install .

  #39 opened 2 years ago by Shredderroy
  3

• Pretrained chembl model requires old rdkit

  #44 opened 2 years ago by roselightheart
  2

• Getting error while generating vocabulary

  #14 opened 4 years ago by aliraza-ece
  6

• TypeError: can't convert cuda:0 device type tensor to numpy. Use Tensor.cpu() to copy the tensor to host memory first

  #40 opened 2 years ago by amir-tagh
  2

• IndexError: tuple index out of range

  #38 opened 2 years ago by amir-tagh
  12

• README error

  #34 opened 2 years ago by muammar
  7

• Unrecognized arguments: --nsamples 1000

  #36 opened 2 years ago by gtteixeira
  1

• Chem.Kekulize(mol) error

  #24 opened 3 years ago by Nokimann
  3

• how to convert the chembl checkpoint kept file to an binary format

  #32 opened 3 years ago by erbb2
  0

• All assm_labels are zero?

  #31 opened 3 years ago by Luckick
  0

• Question about constraint optimization

  #29 opened 3 years ago by Lung-Yi
  0

• Extracting latent vector for a molecule

  #21 opened 3 years ago by michal-pikusa
  5

• Is there another script to avoid using Cuda?

  #2 opened 4 years ago by fylinhub
  2

• Why are the inputs of HierVAE.decoder different from that of other models?

  #12 opened 4 years ago by WhatAShot
  2

• Question Polymer Data

  #28 opened 3 years ago by vthost
  0

• Vocabulary

  #27 opened 3 years ago by vthost
  0

• Regarding structural motifs (bee hives)

  #23 opened 3 years ago by hwidong-na
  3

• Why does the model select the first motif embedding as the whole molecule embedding?

  #19 opened 3 years ago by goznxn
  2

• Regarding relation between train_pairs.txt and mol.txt

  #25 opened 3 years ago by saurav211292
  0

• error with the latest version of rdkit (2021.03.1)

  #20 opened 3 years ago by byooooo
  4

• CUDA memory usage high for large --num_decode

  #8 opened 3 years ago by JamesALumley
  1

• Getting error during vocab generation for graph translation.

  #16 opened 4 years ago by SejeongPark8354
  0

• Generation example not working

  #3 opened 4 years ago by cristianregep
  5

• About the novelty of the model

  #13 opened 4 years ago by Levishery
  0

• Question about the meaning of atom type classification

  #7 opened 4 years ago by HayeonLee
  1

• What are the meanings of the metrics implemented in the /generation/decoder.py?

  #11 opened 4 years ago by WhatAShot
  1

• What is the technical differences between the models in ./generation/poly_hgraph and /hgraph?

  #10 opened 4 years ago by WhatAShot
  1

• Error raise when run preprocess.py in generation folder

  #9 opened 4 years ago by WhatAShot
  1

• MolGraph for cyclic structures

  #4 opened 4 years ago by rouzbeh-afrasiabi
  2

• no gnn_train.py in generation folder

  #6 opened 4 years ago by HayeonLee
  1

• Size of tensors do not match

  #5 opened 4 years ago by MehdiABM
  1

• RuntimeError in in the polymers/ folder

  #1 opened 4 years ago by goznxn
  0