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Author:
Zachary Martinez
License:
MIT
Summary:
Sandbox for Computational Protein Design
Latest version:
1.9.0
Required dependencies:
accelerate
|
antipickle
|
ase
|
beartype
|
biobb_vs
|
biopython
|
biotite
|
bokeh
|
chardet
|
chembl_structure_pipeline
|
click
|
cuequivariance_ops_cu12
|
cuequivariance_ops_torch_cu12
|
cuequivariance_torch
|
datasets
|
deepspeed
|
dm-tree
|
e3nn
|
evaluate
|
fair-esm
|
fairscale
|
fuse-med-ml
|
gemmi
|
gitpython
|
h5py
|
hydra-core
|
icecream
|
ipdb
|
jaxtyping
|
lifelines
|
lightgbm
|
llvmlite
|
loguru
|
mashumaro
|
matplotlib
|
mdanalysis
|
meeko
|
ml-collections
|
modelcif
|
numba
|
numpy
|
omegaconf
|
openmm
|
optuna
|
pandas
|
pandera
|
plotly
|
pydantic
|
pyfiglet
|
pytest
|
pytorch-lightning
|
rdkit
|
reprint
|
scikit-learn
|
scikit-optimize
|
seaborn
|
selfies
|
sentencepiece
|
setuptools
|
skops
|
spyrmsd
|
swig
|
tensorboard
|
tensorboardx
|
torch-nl
|
transformers
|
typed-argument-parser
|
umap-learn
|
urllib3
|
xgboost
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