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maxhodak
/
keras-molecules
Autoencoder network for learning a continuous representation of molecular structures.
MIT License
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146
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Bump scikit-learn from 0.18.0 to 1.5.0
#84
dependabot[bot]
opened
1 month ago
0
AttributeError: module 'urllib' has no attribute 'urlretrieve'
#83
Yanping123DFEF
opened
1 year ago
0
The numpy boolean negative, the - operator, is not supported, use the ~ operator or the logical_not function instead.
#82
CristianVillenaAlemany
opened
1 year ago
0
Is there a list of generated candidates available?
#81
sgbaird
opened
2 years ago
0
ImportError: libcudart.so.8.0
#80
nshervt
opened
5 years ago
2
Issue when sampling with pretrained model - ValueError : axes don't match array
#79
brentkuenzi
opened
6 years ago
2
Problem with the pretrained model on autoencoding
#78
jerryhluo
opened
6 years ago
1
Convolution1D Issue
#77
chao1224
closed
6 years ago
1
TypeError: The numpy boolean negative, the `-` operator, is not supported, use the `~` operator or the logical_not function instead.
#76
vinayakumarr
opened
6 years ago
4
Version numbers for working install
#75
spadavec
closed
6 years ago
0
Fix Dockerfile and readme instruction
#74
Amet13
closed
6 years ago
0
Dockerfile
#73
ghost
closed
6 years ago
0
added changes for python3.5
#72
iwatobipen
closed
10 months ago
0
Issue replicating graph
#71
hstone1
opened
6 years ago
1
Problem running plot.py
#70
mythriambatipudi
opened
7 years ago
0
preprocess.py reduce
#69
charlestondance
opened
7 years ago
4
Getting tables.exceptions.HDF5ExtError: HDF5 error back trace
#68
vinayakumarr
opened
7 years ago
9
install locales
#67
tkda-h3
opened
7 years ago
1
locale-gen: not found when running docker build
#66
tkda-h3
opened
7 years ago
0
Error downloading the chembl22 and Zinc
#65
liuxianghui
opened
7 years ago
2
Encoding representations
#64
hkmztrk
opened
7 years ago
5
Will there be problems if use Tensorflow for CPU?
#63
simonfqy
opened
7 years ago
1
Incorporate Grammar VAE
#62
pechersky
opened
7 years ago
0
VAE part of model
#61
fgvbrt
opened
7 years ago
6
binary cross-entropy in vae_loss
#60
fgvbrt
opened
7 years ago
0
KL divergence term in loss function
#59
hutchisonc
opened
7 years ago
0
Problems with the model_500k.h5
#58
clin366
opened
7 years ago
9
KeyError: "Unable to open object (Object 'latent_vectors' doesn't exist)"
#57
spadavec
closed
6 years ago
0
Replace SMILES input to Coulomb matrix
#56
jeffrey9909
opened
7 years ago
6
Generative Adversarial Networks
#55
maxhodak
opened
7 years ago
13
The unnatural encoding of current implementation
#54
hsiaoyi0504
opened
7 years ago
4
Remove some imports
#53
hsiaoyi0504
closed
7 years ago
1
Fix download scripts
#52
hsiaoyi0504
closed
7 years ago
1
Add random seed of training for reproducibility
#51
hsiaoyi0504
opened
7 years ago
17
Add random seed to make the training consistant
#50
hsiaoyi0504
opened
7 years ago
0
ResourceExhaustedError: OOM when allocating tensor with shape[600,120,1503]
#49
jeffrey9909
closed
7 years ago
2
Use more up-to-date ZINC database
#48
hsiaoyi0504
opened
7 years ago
0
Add missing dependency
#47
hsiaoyi0504
closed
7 years ago
0
Cannot fetch LFS-stored files.
#46
lejar
closed
7 years ago
5
Updated pretrained model?
#45
liamnaka
closed
5 years ago
2
change requirements to use pypi keras at recent version
#44
pechersky
closed
7 years ago
0
Add code for generator based training, testing, sampling
#43
pechersky
closed
7 years ago
0
Try Gomez-Bombarelli's TerminalGRU
#42
pechersky
opened
7 years ago
4
add smilesparser.py for parsing SMILES strings.
#41
dakoner
closed
7 years ago
3
Top-level dir is not a module
#40
dakoner
opened
7 years ago
4
Training and canonicalization
#39
dakoner
opened
7 years ago
1
training accuracy @ 99.99%, validation never goes above 97%
#38
dakoner
closed
7 years ago
9
switch to keras pip?
#37
dakoner
opened
7 years ago
4
Enable light compression on h5 files
#36
dakoner
closed
7 years ago
2
Preprocess uses too much RAM
#35
dakoner
opened
7 years ago
21
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