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Author:
None
Summary:
DeepFrag2: A Deep Learning Framework for Fragment-Based Lead Optimization
Latest version:
2.0.0
Required dependencies:
fair-esm
|
fancy-aggregations
|
filelock
|
h5py
|
k3d
|
matplotlib
|
numba
|
numpy
|
pandas
|
pip
|
prody
|
protobuf
|
py3dmol
|
pytorch-lightning
|
rdkit
|
regex
|
sacremoses
|
scikit-learn
|
scipy
|
sentencepiece
|
setuptools
|
tokenizers
|
torch
|
torch_geometric
|
torchaudio
|
torchinfo
|
torchmetrics
|
torchvision
|
wandb
|
wget
Optional dependencies:
flake8
|
mypy
|
pytest
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