PyPI page
Author:
Institute for Protein Design
License:
Apache-2.0
Summary:
GPU-accelerated PyTorch reimplementation of the Rosetta energy function
Latest version:
0.1.64
Required dependencies:
astor
|
atomworks
|
attrs
|
attrs-strict
|
biotite
|
cattrs
|
decorator
|
frozendict
|
llvmlite
|
networkx
|
numba
|
numpy
|
openbabel-wheel
|
pandas
|
pint
|
pyarrow
|
pyyaml
|
rdkit
|
requests
|
scipy
|
sparse
|
toolz
|
torch
|
typing-extensions
|
typing-inspect
Optional dependencies:
black
|
build
|
clang-format
|
flake8
|
hypothesis
|
ipykernel
|
ipython
|
itables
|
linkify-it-py
|
matplotlib
|
myst-parser
|
nbclient
|
nbformat
|
nbsphinx
|
nvidia-cuda-cccl
|
nvidia-cuda-nvcc
|
pre-commit
|
psutil
|
py3dmol
|
pydata-sphinx-theme
|
pypandoc-binary
|
pytest
|
pytest-benchmark
|
pytest-cov
|
pytest-forked
|
pytest-instafail
|
pytest-repeat
|
pytest-watch
|
pytest-xdist
|
seaborn
|
sphinx
|
sphinx-togglebutton
|
tmol-ops-cu12
|
tmol-ops-cu13
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