molecular VAE

Molecular AutoEncoder in PyTorch based on molencoder, more simple.

references

Name		Name	Last commit message	Last commit date
Latest commit History 582 Commits
data		data
.gitignore		.gitignore
2D.png		2D.png
LICENSE		LICENSE
README.md		README.md
config.py		config.py
data_loader.py		data_loader.py
featurizer.py		featurizer.py
hugesample.py		hugesample.py
models.py		models.py
models2d.py		models2d.py
moses_train_distrib.py		moses_train_distrib.py
moses_train_distrib_logp.py		moses_train_distrib_logp.py
mosesanalyize.py		mosesanalyize.py
mosesfile.py		mosesfile.py
mosestrain.py		mosestrain.py
mosesvae.py		mosesvae.py
mosesvocab.py		mosesvocab.py
preprocessor.py		preprocessor.py
sample.py		sample.py
train.py		train.py
train_distributed.py		train_distributed.py
train_sample.py		train_sample.py
trainbinding.py		trainbinding.py
vocab.py		vocab.py