aspuru-guzik-group/chemical_vae

Issues

• I am working in a new version of this project

  #59 opened 5 months ago by ghsanti
  5

• Trouble Setting up Chemvae

  #58 opened 5 months ago by shmurthy7002
  0

• Metaclass conflict

  #57 opened 9 months ago by SimoneGallarati
  1

• Version incompatible

  #56 opened a year ago by chrngc
  0

• Which RDkit version is used in this project?

  #55 opened 2 years ago by hnu2019XuYang
  0

• Where can I find the model prediction result?

  #54 opened 2 years ago by taoufik919
  0

• FileNotFoundError: [Errno 2] No such file or directory: 'zinc.json'

  #45 opened 3 years ago by baoyilee
  1

• Is the Gaussian process for optimization of molecules included in the repository?

  #32 opened 4 years ago by hcji
  1

• Paper

  #49 opened 3 years ago by bibbygreen
  0

• How to train your VAE

  #7 opened 7 years ago by xuzhang5788
  3

• AttributeError: 'TerminalGRU' object has no attribute 'preprocess_input'

  #42 opened 3 years ago by ShangChien
  1

• updated version of this VAE?

  #48 opened 3 years ago by icyyyyy730
  0

• Hello

  #47 opened 3 years ago by spalgit
  0

• chemical_vae install

  #2 opened 7 years ago by mitangguoguon
  3

• Seperate training of reconstruction-task and property-prediction

  #5 opened 7 years ago by maxbernhard
  4

• Extract vector representation of molecules

  #12 opened 6 years ago by tevang
  3

• GPU Support

  #44 opened 3 years ago by amirnikooie
  0

• intro_to_chemvae.ipynb loading model AttributeError: 'str' object has no attribute 'decode'

  #39 opened 4 years ago by Rdk0
  3

• Dense layer in variational_layers is not saved and cannot be used to generate latent variables

  #40 opened 4 years ago by hengshiyu
  0

• trying using the conda method

  #37 opened 4 years ago by UnixJunkie
  3

• I am trying to use your model to get the encoded representation of the smiles.

  #30 opened 5 years ago by Lanorius
  1

• name 'vae' is not defined

  #31 opened 4 years ago by sli259
  0

• Cannot reproduce the h5 files of the zinc_properties example

  #25 opened 5 years ago by sozenoid
  1

• Exact Python package versions

  #29 opened 5 years ago by ramashka328
  0

• NameError: name 'TerminalGRU' is not defined

  #26 opened 5 years ago by ramashka328
  2

• ...For time-series...

  #28 opened 5 years ago by Juan-AAS
  0

• Decoder expects 3 inputs but it received 2 inputs

  #27 opened 5 years ago by mkduong-ai
  0

• runtime training the zinc dataset

  #24 opened 5 years ago by jbdav
  1

• import

  #18 opened 6 years ago by AustinApple
  0

• Errors with vae_utils.py

  #10 opened 6 years ago by chengthefang
  1

• bug in "intro_to_chemvae.ipynb"

  #6 opened 7 years ago by xuzhang5788
  1

• What's the difference between the two models in your code?

  #20 opened 6 years ago by Dinxin
  1

• How is the limit_data used in exp.json ?

  #21 opened 5 years ago by abhik1368
  2

• ValueError: Sample larger than population or is negative

  #19 opened 6 years ago by muu4649
  0

• segmentation fault

  #17 opened 6 years ago
  1

• "Resource exhausted: OOM when allocating tensor with shape[940,196]"

  #16 opened 6 years ago by li-aolong
  0

• possible issue with random sampling

  #15 opened 6 years ago by ga01
  4

• errors when run examples/intro_to_chemvae.ipynb

  #1 opened 7 years ago by fazhiyang
  4

• Multiple install-issues under windows and linux

  #14 opened 6 years ago by rnbwdsh
  0

• AttributeError: can't set attribute

  #4 opened 7 years ago by jerryhluo
  3

• vae_utils

  #13 opened 6 years ago by Martinmejia
  0

• I can't find the .py file that corresponding to optimization of molecules via properties using GP

  #11 opened 6 years ago by SupernovaTitanium
  1

• How to generate figures similar to your paper?

  #9 opened 6 years ago by xuzhang5788
  0

• Running autoencoder

  #8 opened 6 years ago by marshvee
  0

• train_vae not picking up GPU?

  #3 opened 7 years ago by spadavec
  6