maxhodak keras-molecules issues

maxhodak / keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.

MIT License

521 stars 146 forks source link

issues

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Bump keras from 1.1.1 to 2.13.1

#85 dependabot[bot] opened 3 months ago
0
Bump scikit-learn from 0.18.0 to 1.5.0

#84 dependabot[bot] opened 5 months 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 2 years 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 1 year ago
0
Issue replicating graph

#71 hstone1 opened 7 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 8 years ago
0
Add code for generator based training, testing, sampling

#43 pechersky closed 8 years ago
0
Try Gomez-Bombarelli's TerminalGRU

#42 pechersky opened 8 years ago
4
add smilesparser.py for parsing SMILES strings.

#41 dakoner closed 8 years ago
3
Top-level dir is not a module

#40 dakoner opened 8 years ago
4
Training and canonicalization

#39 dakoner opened 8 years ago
1
training accuracy @ 99.99%, validation never goes above 97%

#38 dakoner closed 8 years ago
9
switch to keras pip?

#37 dakoner opened 8 years ago
4
Enable light compression on h5 files

#36 dakoner closed 8 years ago
2