aspuru-guzik-group chemical_vae issues

aspuru-guzik-group / chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

Apache License 2.0

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issues

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I am working in a new version of this project

#59 ghsanti closed 6 days ago
5
Trouble Setting up Chemvae

#58 shmurthy7002 opened 2 weeks ago
0
Metaclass conflict

#57 SimoneGallarati opened 4 months ago
1
Version incompatible

#56 chrngc opened 8 months ago
0
Which RDkit version is used in this project?

#55 hnu2019XuYang opened 1 year ago
0
Where can I find the model prediction result?

#54 taoufik919 opened 1 year ago
0
Bump tensorflow-gpu from 1.1.0 to 2.12.0

#53 dependabot[bot] opened 1 year ago
0
Bump tensorflow-gpu from 1.1.0 to 2.9.3

#52 dependabot[bot] closed 1 year ago
1
Bump tensorflow-gpu from 1.1.0 to 2.7.2

#51 dependabot[bot] closed 1 year ago
1
Bump tensorflow-gpu from 1.1.0 to 2.6.4

#50 dependabot[bot] closed 2 years ago
1
Paper

#49 bibbygreen opened 2 years ago
0
updated version of this VAE?

#48 icyyyyy730 opened 2 years ago
0
Hello

#47 spalgit opened 2 years ago
0
Bump tensorflow-gpu from 1.1.0 to 2.5.3

#46 dependabot[bot] closed 2 years ago
1
FileNotFoundError: [Errno 2] No such file or directory: 'zinc.json'

#45 baoyilee opened 2 years ago
1
GPU Support

#44 amirnikooie closed 2 years ago
0
Bump tensorflow-gpu from 1.1.0 to 2.5.1

#43 dependabot[bot] closed 2 years ago
1
AttributeError: 'TerminalGRU' object has no attribute 'preprocess_input'

#42 ShangChien closed 2 years ago
1
Bump tensorflow-gpu from 1.1.0 to 2.4.2

#41 dependabot[bot] closed 2 years ago
1
Dense layer in variational_layers is not saved and cannot be used to generate latent variables

#40 hengshiyu opened 3 years ago
0
intro_to_chemvae.ipynb loading model AttributeError: 'str' object has no attribute 'decode'

#39 Rdk0 opened 3 years ago
3
correction

#38 UnixJunkie opened 3 years ago
0
trying using the conda method

#37 UnixJunkie opened 3 years ago
3
Update README.md

#36 UnixJunkie opened 3 years ago
0
Bump tensorflow-gpu from 1.1.0 to 2.3.1

#35 dependabot[bot] closed 3 years ago
1
Add EncoderDecoderCheckpoint to main_no_prop

#34 JPatrick9793 opened 3 years ago
0
Bump tensorflow-gpu from 1.1.0 to 1.15.4

#33 dependabot[bot] closed 3 years ago
1
Is the Gaussian process for optimization of molecules included in the repository?

#32 hcji opened 3 years ago
1
name 'vae' is not defined

#31 sli259 opened 4 years ago
0
I am trying to use your model to get the encoded representation of the smiles.

#30 Lanorius opened 4 years ago
1
Exact Python package versions

#29 ramashka328 opened 4 years ago
0
...For time-series...

#28 Juan-AAS opened 4 years ago
0
Decoder expects 3 inputs but it received 2 inputs

#27 mkduong-ai opened 4 years ago
0
NameError: name 'TerminalGRU' is not defined

#26 ramashka328 opened 4 years ago
2
Cannot reproduce the h5 files of the zinc_properties example

#25 sozenoid opened 4 years ago
1
runtime training the zinc dataset

#24 jbdav closed 4 years ago
1
Bump tensorflow-gpu from 1.1.0 to 1.15.2

#23 dependabot[bot] closed 3 years ago
1
Bump tensorflow-gpu from 1.1.0 to 1.15.0

#22 dependabot[bot] closed 4 years ago
1
How is the limit_data used in exp.json ?

#21 abhik1368 opened 5 years ago
2
What's the difference between the two models in your code?

#20 Dinxin opened 5 years ago
1
ValueError: Sample larger than population or is negative

#19 muu4649 opened 5 years ago
0
import

#18 AustinApple closed 5 years ago
0
segmentation fault

#17 ghost opened 5 years ago
1
"Resource exhausted: OOM when allocating tensor with shape[940,196]"

#16 li-aolong closed 5 years ago
0
possible issue with random sampling

#15 ga01 opened 5 years ago
4
Multiple install-issues under windows and linux

#14 rnbwdsh opened 5 years ago
0
vae_utils

#13 Martinmejia opened 5 years ago
0
Extract vector representation of molecules

#12 tevang opened 5 years ago
3
I can't find the .py file that corresponding to optimization of molecules via properties using GP

#11 SupernovaTitanium closed 6 years ago
1
Errors with vae_utils.py

#10 chengthefang opened 6 years ago
1