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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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CircularBuffer Fix
#64
beangoben
closed
4 years ago
0
Integrate lbann moses
#63
wderekjones
opened
4 years ago
0
Updated mean/sd and table/plots
#62
SeemonJ
closed
4 years ago
0
TypeError: get_all_metrics() got an unexpected keyword argument 'train'
#61
toushi68
closed
4 years ago
2
Add latent gan metrics in README
#60
danpol
closed
4 years ago
0
added the latentgan model
#59
SeemonJ
closed
4 years ago
0
Use local cache of ZINC dataset, since original URL is not available anymore
#58
danpol
closed
4 years ago
0
Could not find a version that satisfies the requirement torch>=1.1.0
#57
data-datum
closed
4 years ago
4
Data path fix in accordance with the documentation
#56
shayakhmetov
closed
5 years ago
0
Dockerfile updated
#55
shayakhmetov
closed
5 years ago
0
Novelty metric & std for metrics
#54
danpol
closed
5 years ago
0
RuntimeError when executing the run.py
#53
vandan-revanur
closed
4 years ago
4
Add a preliminary version of the LatentGAN
#52
SeemonJ
closed
5 years ago
2
Added git lfs pull
#51
pcko1
closed
5 years ago
2
flake8
#50
danpol
closed
5 years ago
0
Catch ValueError: Sanitization error in compute_scaffold()
#49
pcko1
closed
5 years ago
0
Updated char_rnn results
#48
danpol
closed
5 years ago
0
Long time for training
#47
meghanakanapaneni
closed
4 years ago
2
Regarding Vocabulary
#46
meghanakanapaneni
closed
4 years ago
2
Posterior collapse for the VAE
#45
maxime-langevin
closed
4 years ago
1
value of FCD Test and FCD Test SF
#44
xusworld
closed
5 years ago
6
cPickle -> pickle
#43
danpol
closed
5 years ago
0
Insights on VAE's KL annealing scheme
#42
maxime-langevin
closed
5 years ago
3
How to generate compounds from single smiles string?
#41
abhik1368
closed
4 years ago
7
ImportError: /lib64/libstdc++.so.6: version `GLIBCXX_3.4.21' not found in CentOS after using FCD module
#40
toushi68
closed
5 years ago
4
Script for printing table with results
#39
danpol
closed
5 years ago
0
PyPi package, updated results and pep8 for everything
#38
danpol
closed
5 years ago
0
How to cite
#37
danpol
closed
5 years ago
0
Update benchmarking results using whole dataset
#36
zhebrak
closed
5 years ago
1
Travis CI + distribution plot
#35
danpol
closed
5 years ago
0
Update benchmarking results using dataset_iso_v1
#34
zhebrak
closed
4 years ago
0
isomeric dataset
#33
danpol
closed
5 years ago
0
Add computation time
#32
DomInvivo
opened
5 years ago
1
Updated metrics
#31
danpol
closed
5 years ago
0
Updated metrics
#30
danpol
closed
5 years ago
0
FCD from fcd_torch
#29
danpol
closed
5 years ago
1
Rewrite FCDMetric using fcd_torch
#28
danpol
closed
5 years ago
0
no stereoisomer included in the dataset dataset_v1.csv
#27
zhengmin317
closed
5 years ago
2
add conditional mode into vae and organ
#26
tammykan
closed
5 years ago
0
add conditional vae and organ models
#25
tammykan
closed
5 years ago
0
add version of conditional aae
#24
ZixinYang
closed
5 years ago
0
Interface unification
#23
hbq1
closed
5 years ago
2
Hyperparameters
#22
danpol
closed
5 years ago
0
Have a look of Organ sample/model generated smiles file!
#21
toushi68
closed
5 years ago
2
how to use "--addition_rewards" to run organ
#20
toushi68
closed
5 years ago
1
Moses on Knime
#19
lcollia
closed
5 years ago
1
Docker: tensorflow gpu version, size reduction and documentation updates
#18
shayakhmetov
closed
5 years ago
0
Metrics minor fixes
#17
AndreyFilimonov
closed
5 years ago
0
add version to the dataset
#16
rtriangle
closed
5 years ago
2
Consider adding Graph Convolutional Policy Network to the models
#15
hbq1
closed
4 years ago
1
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