Instructions to use keras-io/drug-molecule-generation-with-VAE with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- TF-Keras
How to use keras-io/drug-molecule-generation-with-VAE with TF-Keras:
# Note: 'keras<3.x' or 'tf_keras' must be installed (legacy), and from_pretrained_keras was removed in huggingface_hub 1.0. # See https://github.com/keras-team/tf-keras for more details. # !pip install "huggingface_hub<1.0" tf_keras from huggingface_hub import from_pretrained_keras model = from_pretrained_keras("keras-io/drug-molecule-generation-with-VAE") - Notebooks
- Google Colab
- Kaggle
include-full-model
#2
by camocazi - opened
No description provided.
vumichien changed pull request status to open
vumichien changed pull request status to merged
Currently what's included in the repo is only the decoder part of the network, which is not very useful on its own.
from huggingface_hub import from_pretrained_keras
model = from_pretrained_keras("keras-io/drug-molecule-generation-with-VAE")
model.summary()
Model: "decoder"
__________________________________________________________________________________________________
Layer (type) Output Shape Param # Connected to
==================================================================================================
input_6 (InputLayer) [(None, 435)] 0 []
dense_8 (Dense) (None, 128) 55808 ['input_6[0][0]']
dropout_5 (Dropout) (None, 128) 0 ['dense_8[0][0]']
dense_9 (Dense) (None, 256) 33024 ['dropout_5[0][0]']
dropout_6 (Dropout) (None, 256) 0 ['dense_9[0][0]']
dense_10 (Dense) (None, 512) 131584 ['dropout_6[0][0]']
dropout_7 (Dropout) (None, 512) 0 ['dense_10[0][0]']
dense_11 (Dense) (None, 72000) 36936000 ['dropout_7[0][0]']
reshape_2 (Reshape) (None, 5, 120, 120) 0 ['dense_11[0][0]']
tf.compat.v1.transpose_1 (TFOp (None, 5, 120, 120) 0 ['reshape_2[0][0]']
Lambda)
tf.__operators__.add_1 (TFOpLa (None, 5, 120, 120) 0 ['reshape_2[0][0]',
mbda) 'tf.compat.v1.transpose_1[0][0]'
]
dense_12 (Dense) (None, 1320) 677160 ['dropout_7[0][0]']
tf.math.truediv_1 (TFOpLambda) (None, 5, 120, 120) 0 ['tf.__operators__.add_1[0][0]']
reshape_3 (Reshape) (None, 120, 11) 0 ['dense_12[0][0]']
softmax_2 (Softmax) (None, 5, 120, 120) 0 ['tf.math.truediv_1[0][0]']
softmax_3 (Softmax) (None, 120, 11) 0 ['reshape_3[0][0]']
==================================================================================================
Total params: 37,833,576
Trainable params: 37,833,576
Non-trainable params: 0
This PR includes the encoder, decoder, and sampling layer in the model object (and includes their weights after training with the published code).
model.summary()
Model: "molecule_generator_1"
_________________________________________________________________
Layer (type) Output Shape Param #
=================================================================
encoder (Functional) [(None, 435), 451925
(None, 435)]
decoder (Functional) [(None, 5, 120, 120), 37833576
(None, 120, 11)]
dense_13 (Dense) multiple 436
=================================================================
Total params: 38,285,941
Trainable params: 38,285,937
Non-trainable params: 4
Also updates the diagrams of the encoder and decoder graphs.
Super! Thank you for clearly describing