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molecularsets
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moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
https://arxiv.org/abs/1811.12823
MIT License
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About the REFERENCE dataset
#115
tszslovewanpu
opened
1 month ago
0
Either docker or Git not working.
#114
supershiye
opened
2 months ago
0
Update sascorer.py
#113
Mahmoud-A1i
opened
2 months ago
3
Update utils.py
#112
Mahmoud-A1i
opened
2 months ago
0
Use pd.concat() instead of DataFrame.append()
#111
kohbanye
opened
10 months ago
1
some issues of eval.py
#110
someonebuymelon
opened
10 months ago
0
Boron in MOSES
#109
shozebhaider
opened
1 year ago
0
Incompatibility with pandas 2.0
#108
gregory-kyro
opened
1 year ago
0
AttributeError: 'DataFrame' object has no attribute 'append'
#107
28YOGESH
opened
1 year ago
1
Distributed torch evaluation
#106
dgm2
opened
1 year ago
0
Any recent update?
#105
atabeyunlu
opened
1 year ago
0
Error installing molsets due to dependency pomegranate==0.12.0
#104
dbhaskar92
opened
2 years ago
3
JTN-VAE model implementation
#103
gcc17
opened
2 years ago
0
Error occurs when loading datasets, seems a gzip error
#102
CandyClass
opened
2 years ago
11
ChemVAE support
#101
Naghipourfar
opened
2 years ago
0
why does the variable 'vocab' there have the property - 'vectors'?
#100
HandanDiana
opened
2 years ago
1
Is the validity check of smiles in moses the same as RDKit?
#99
amine179
opened
2 years ago
0
feat: moved to commit 96c77d52c688dcac8e2962d78965175e7824c48c
#98
Ashish13898
closed
2 years ago
0
RuntimeError: 'lengths' argument should be a 1D CPU int64 tensor, but got 1D cuda:1 Long tensor
#97
viko-3
closed
2 years ago
4
moses.get_dataset('train') -> BadGzipFile: Not a gzipped file (b've')
#96
UnixJunkie
closed
3 years ago
4
please check the required pomegranate version constraint
#95
UnixJunkie
closed
1 year ago
0
Update README.md
#94
UnixJunkie
opened
3 years ago
0
On which distribution and version is 'pip install molsets' supposed to work?
#93
UnixJunkie
opened
3 years ago
0
Not a gzipped file when get_dataset()
#92
charlesxu90
closed
3 years ago
1
Training ORGAN on cuda error
#91
Binbose
opened
3 years ago
0
Aging, Epigenetic Drift and Gene Expression.
#90
AlexanderMath
opened
3 years ago
0
Regarding of tests/test_metrics.py
#89
hmkim
opened
3 years ago
0
Updated results for JTN-VAE (added std)
#88
danpol
closed
3 years ago
0
Comment on this database.
#87
Kexin-Zhang-UCAS
opened
4 years ago
0
Glo integration
#86
mcloughlin2
closed
4 years ago
0
Moltransf
#85
samadejacobs
opened
4 years ago
0
multi gpu experiments
#83
trinayan
closed
4 years ago
2
Pre-trained models or model checkpoint
#82
chetankm1992
opened
4 years ago
0
Make compatible with newer versions of torch
#81
Dom303
opened
4 years ago
6
combinatorial generator updated to do only valid fragment combination
#80
spoilt333
closed
4 years ago
0
Replaced Fréchet 1D distance with Wasserstein-1 1D distance for properties
#79
danpol
closed
4 years ago
0
Stereochemistry
#78
yuhuafang
opened
4 years ago
1
Added HMM, NGram and Combinatorial baselines
#77
danpol
closed
4 years ago
0
Add HMM baseline model
#76
danpol
closed
4 years ago
0
Added combinatorial generator baseline
#75
danpol
closed
4 years ago
0
ngram: add class and test
#74
spoilt333
closed
4 years ago
0
Install MOSES dataset in moses package
#73
danpol
closed
4 years ago
0
pylint + fix ks argument type
#72
danpol
closed
4 years ago
0
The --ks option for script/eval.py should add "type=int"?
#71
toushi68
closed
4 years ago
0
Updated Dockerfile and README.md for LatentGAN
#70
danpol
closed
4 years ago
0
where is ddc_pub?
#69
toushi68
closed
4 years ago
3
Continue to have errors. Request Help. Please see attached 3 txt files.
#68
webservicereco
closed
4 years ago
2
fix scipy version in travis
#67
danpol
closed
4 years ago
0
#2: Request for exact steps to run each of the 5 models and required packages with versions
#66
webservicereco
closed
4 years ago
6
Request exact steps and the order to run the 5 models
#65
webservicereco
closed
4 years ago
1
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