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Author:
None
Summary:
Variational AutoEncoder for learning embeddings of molecules in a chemistry-aware latent space
Latest version:
1.0.1
Required dependencies:
bio
|
chembl_structure_pipeline
|
duckdb
|
fastparquet
|
h5py
|
huggingface-hub
|
lightning
|
matplotlib
|
numpy
|
pandarallel
|
pandas
|
polars
|
pyarrow
|
pyyaml
|
rdkit
|
requests
|
safetensors
|
scikit-learn
|
scipy
|
seaborn
|
selfies
|
tensorboard
|
tensorflow
|
torch
|
torchmetrics
|
torchvision
|
tqdm
Optional dependencies:
ruff
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