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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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I am working in a new version of this project
#59
ghsanti
closed
1 month ago
5
Trouble Setting up Chemvae
#58
shmurthy7002
opened
2 months ago
0
Metaclass conflict
#57
SimoneGallarati
opened
6 months ago
1
Version incompatible
#56
chrngc
opened
9 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
4 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
6 years ago
0
Extract vector representation of molecules
#12
tevang
opened
6 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
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