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requirements.txt
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# This file may be used to create an environment using:
# $ conda create --name <env> --file <this file>
# platform: linux-64
_libgcc_mutex=0.1=conda_forge
_openmp_mutex=4.5=2_kmp_llvm
alabaster=0.7.13=pyhd8ed1ab_0
anyio=3.6.2=pyhd8ed1ab_0
argon2-cffi=21.3.0=pyhd8ed1ab_0
argon2-cffi-bindings=21.2.0=py39hb9d737c_3
asttokens=2.2.1=pyhd8ed1ab_0
astunparse=1.6.3=pyhd8ed1ab_0
attrs=22.2.0=pyh71513ae_0
babel=2.12.1=pyhd8ed1ab_1
backcall=0.2.0=pyh9f0ad1d_0
backports=1.0=pyhd8ed1ab_3
backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
beautifulsoup4=4.12.0=pyha770c72_0
blas=2.116=openblas
blas-devel=3.9.0=16_linux64_openblas
bleach=6.0.0=pyhd8ed1ab_0
blosc=1.21.3=hafa529b_0
brotli=1.0.9=h166bdaf_8
brotli-bin=1.0.9=h166bdaf_8
brotlipy=0.7.0=py39hb9d737c_1005
bzip2=1.0.8=h7f98852_4
ca-certificates=2022.12.7=ha878542_0
cached-property=1.5.2=hd8ed1ab_1
cached_property=1.5.2=pyha770c72_1
certifi=2022.12.7=pyhd8ed1ab_0
cffi=1.15.1=py39he91dace_3
charset-normalizer=2.1.1=pyhd8ed1ab_0
click=8.1.3=unix_pyhd8ed1ab_2
colorama=0.4.6=pyhd8ed1ab_0
comm=0.1.2=pyhd8ed1ab_0
commonmark=0.9.1=py_0
contourpy=1.0.7=py39h4b4f3f3_0
cryptography=38.0.4=py39hd97740a_0
cudatoolkit=11.8.0=h37601d7_11
cudnn=8.4.1.50=hed8a83a_0
cycler=0.11.0=pyhd8ed1ab_0
dataclasses=0.8=pyhc8e2a94_3
dbus=1.13.18=hb2f20db_0
debugpy=1.6.6=py39h227be39_0
decorator=5.1.1=pyhd8ed1ab_0
deeptime=0.4.4=py39h2ad29b5_0
defusedxml=0.7.1=pyhd8ed1ab_0
dill=0.3.6=pyhd8ed1ab_1
docutils=0.18.1=py39h06a4308_3
entrypoints=0.4=pyhd8ed1ab_0
executing=1.2.0=pyhd8ed1ab_0
expat=2.5.0=h27087fc_0
flit-core=3.8.0=pyhd8ed1ab_0
fontconfig=2.14.2=h14ed4e7_0
fonttools=4.39.2=py39h72bdee0_0
freetype=2.12.1=hca18f0e_1
future=0.18.3=pyhd8ed1ab_0
gettext=0.21.1=h27087fc_0
giflib=5.2.1=h0b41bf4_3
glib=2.74.1=h6239696_1
glib-tools=2.74.1=h6239696_1
gst-plugins-base=1.14.1=h6a678d5_1
gstreamer=1.14.1=h5eee18b_1
h5py=3.1.0=nompi_py39h25020de_100
hdf5=1.10.6=h3ffc7dd_1
icu=58.2=hf484d3e_1000
idna=3.4=pyhd8ed1ab_0
imagesize=1.4.1=pyhd8ed1ab_0
importlib-metadata=6.1.0=pyha770c72_0
importlib-resources=5.12.0=pyhd8ed1ab_0
importlib_metadata=6.1.0=hd8ed1ab_0
importlib_resources=5.12.0=pyhd8ed1ab_0
ipykernel=6.21.3=pyh210e3f2_0
ipython=8.11.0=pyh41d4057_0
ipython_genutils=0.2.0=py_1
ipywidgets=8.0.4=pyhd8ed1ab_0
jedi=0.18.2=pyhd8ed1ab_0
jinja2=3.1.2=pyhd8ed1ab_1
joblib=1.2.0=pyhd8ed1ab_0
jpeg=9e=h0b41bf4_3
json5=0.9.5=pyh9f0ad1d_0
jsonschema=4.17.3=pyhd8ed1ab_0
jupyter=1.0.0=py39hf3d152e_8
jupyter_client=8.0.3=pyhd8ed1ab_0
jupyter_console=6.6.3=pyhd8ed1ab_0
jupyter_core=5.3.0=py39hf3d152e_0
jupyter_events=0.6.3=pyhd8ed1ab_0
jupyter_server=2.5.0=pyhd8ed1ab_0
jupyter_server_terminals=0.4.4=pyhd8ed1ab_1
jupyterlab=3.5.0=pyhd8ed1ab_0
jupyterlab_pygments=0.2.2=pyhd8ed1ab_0
jupyterlab_server=2.20.0=pyhd8ed1ab_0
jupyterlab_widgets=3.0.5=pyhd8ed1ab_0
keyutils=1.6.1=h166bdaf_0
kiwisolver=1.4.4=py39hf939315_1
krb5=1.19.3=h3790be6_0
lcms2=2.15=hfd0df8a_0
ld_impl_linux-64=2.40=h41732ed_0
lerc=4.0.0=h27087fc_0
libblas=3.9.0=16_linux64_openblas
libbrotlicommon=1.0.9=h166bdaf_8
libbrotlidec=1.0.9=h166bdaf_8
libbrotlienc=1.0.9=h166bdaf_8
libcblas=3.9.0=16_linux64_openblas
libclang=10.0.1=default_hb85057a_2
libdeflate=1.17=h0b41bf4_0
libedit=3.1.20191231=he28a2e2_2
libevent=2.1.12=h8f2d780_0
libffi=3.4.2=h7f98852_5
libgcc-ng=12.2.0=h65d4601_19
libgfortran-ng=12.2.0=h69a702a_19
libgfortran5=12.2.0=h337968e_19
libglib=2.74.1=h606061b_1
libgomp=12.2.0=h65d4601_19
libiconv=1.17=h166bdaf_0
liblapack=3.9.0=16_linux64_openblas
liblapacke=3.9.0=16_linux64_openblas
libllvm10=10.0.1=he513fc3_3
libnsl=2.0.0=h7f98852_0
libopenblas=0.3.21=pthreads_h78a6416_3
libpng=1.6.39=h753d276_0
libpq=12.9=h16c4e8d_3
libprotobuf=3.21.12=h3eb15da_0
libsodium=1.0.18=h36c2ea0_1
libsqlite=3.40.0=h753d276_0
libstdcxx-ng=12.2.0=h46fd767_19
libtiff=4.5.0=h6adf6a1_2
libuuid=2.32.1=h7f98852_1000
libwebp=1.2.4=h1daa5a0_1
libwebp-base=1.2.4=h5eee18b_1
libxcb=1.15=h7f8727e_0
libxkbcommon=1.0.1=hfa300c1_0
libxml2=2.9.14=h74e7548_0
libxslt=1.1.35=h4e12654_0
libzlib=1.2.13=h166bdaf_4
llvm-openmp=16.0.0=h417c0b6_0
lz4-c=1.9.4=hcb278e6_0
lzo=2.10=h516909a_1000
magma=2.6.2=hc72dce7_0
markupsafe=2.1.2=py39h72bdee0_0
matplotlib=3.7.1=py39hf3d152e_0
matplotlib-base=3.7.1=py39he190548_0
matplotlib-inline=0.1.6=pyhd8ed1ab_0
mdtraj=1.9.7=py39h62423bb_4
mistune=2.0.5=pyhd8ed1ab_0
mkl=2022.2.1=h84fe81f_16997
mock=5.0.1=pyhd8ed1ab_0
multiprocess=0.70.14=py39hb9d737c_3
munkres=1.1.4=pyh9f0ad1d_0
nb_conda=2.2.1=unix_6
nb_conda_kernels=2.3.1=py39hf3d152e_2
nbclassic=0.5.3=pyhb4ecaf3_3
nbclient=0.7.2=pyhd8ed1ab_0
nbconvert=7.2.9=pyhd8ed1ab_0
nbconvert-core=7.2.9=pyhd8ed1ab_0
nbconvert-pandoc=7.2.9=pyhd8ed1ab_0
nbformat=5.7.3=pyhd8ed1ab_0
nccl=2.14.3.1=h0800d71_0
ncurses=6.3=h27087fc_1
nest-asyncio=1.5.6=pyhd8ed1ab_0
ninja=1.11.1=h924138e_0
notebook=6.5.3=pyha770c72_0
notebook-shim=0.2.2=pyhd8ed1ab_0
nspr=4.35=h27087fc_0
nss=3.89=he45b914_0
numexpr=2.8.4=py39hd2a5715_0
numpy=1.24.2=py39h7360e5f_0
ocl-icd=2.3.1=h7f98852_0
ocl-icd-system=1.0.0=1
openblas=0.3.21=pthreads_h320a7e8_3
openmm=8.0.0=py39hc5dd2c2_0
openmm-torch=1.0=cuda112py39h5fdd380_0
openssl=1.1.1t=h0b41bf4_0
packaging=23.0=pyhd8ed1ab_0
pandas=1.5.3=py39h2ad29b5_0
pandoc=3.1.1=h32600fe_0
pandocfilters=1.5.0=pyhd8ed1ab_0
parso=0.8.3=pyhd8ed1ab_0
pathos=0.3.0=pyhd8ed1ab_0
pcre2=10.40=hc3806b6_0
pexpect=4.8.0=pyh1a96a4e_2
pickleshare=0.7.5=py_1003
pillow=9.4.0=py39h6a678d5_0
pip=23.0.1=pyhd8ed1ab_0
pkgutil-resolve-name=1.3.10=pyhd8ed1ab_0
platformdirs=3.1.1=pyhd8ed1ab_0
ply=3.11=py_1
pooch=1.7.0=pyhd8ed1ab_0
pox=0.3.2=pyhd8ed1ab_0
ppft=1.7.6.6=pyhd8ed1ab_0
prometheus_client=0.16.0=pyhd8ed1ab_0
prompt-toolkit=3.0.38=pyha770c72_0
prompt_toolkit=3.0.38=hd8ed1ab_0
psutil=5.9.4=py39hb9d737c_0
ptyprocess=0.7.0=pyhd3deb0d_0
pure_eval=0.2.2=pyhd8ed1ab_0
pycparser=2.21=pyhd8ed1ab_0
pyemma=2.5.12=py39h4661b88_1
pygments=2.14.0=pyhd8ed1ab_0
pyopenssl=23.0.0=pyhd8ed1ab_0
pyparsing=3.0.9=pyhd8ed1ab_0
pyqt=5.15.7=py39h6a678d5_1
pyqt5-sip=12.11.0=py39h6a678d5_1
pyrsistent=0.19.3=py39h72bdee0_0
pysocks=1.7.1=pyha2e5f31_6
pytables=3.7.0=py39hf19a122_1
python=3.9.16=h7a1cb2a_0
python-dateutil=2.8.2=pyhd8ed1ab_0
python-fastjsonschema=2.16.3=pyhd8ed1ab_0
python-json-logger=2.0.7=pyhd8ed1ab_0
python_abi=3.9=2_cp39
pytorch=1.13.1=cuda112py39hb0b7ed5_200
pytz=2022.7.1=pyhd8ed1ab_0
pyyaml=6.0=py39hb9d737c_5
pyzmq=25.0.2=py39h0be026e_0
qt-main=5.15.2=h327a75a_7
qt-webengine=5.15.9=hd2b0992_4
qtconsole=5.4.1=pyhd8ed1ab_0
qtconsole-base=5.4.1=pyha770c72_0
qtpy=2.3.0=pyhd8ed1ab_0
qtwebkit=5.212=h4eab89a_4
readline=8.1.2=h0f457ee_0
requests=2.28.2=pyhd8ed1ab_0
rfc3339-validator=0.1.4=pyhd8ed1ab_0
rfc3986-validator=0.1.1=pyh9f0ad1d_0
rich=12.6.0=pyhd8ed1ab_0
scikit-learn=1.2.2=py39h86b2a18_0
scipy=1.10.1=py39h7360e5f_0
send2trash=1.8.0=pyhd8ed1ab_0
setuptools=67.6.0=pyhd8ed1ab_0
shellingham=1.5.1=pyhd8ed1ab_0
sip=6.6.2=py39h5a03fae_0
six=1.16.0=pyh6c4a22f_0
sleef=3.5.1=h9b69904_2
snappy=1.1.10=h9fff704_0
sniffio=1.3.0=pyhd8ed1ab_0
snowballstemmer=2.2.0=pyhd8ed1ab_0
soupsieve=2.3.2.post1=pyhd8ed1ab_0
sphinx=6.1.3=pyhd8ed1ab_0
sphinx_rtd_theme=1.2.0=pyha770c72_0
sphinxcontrib-applehelp=1.0.4=pyhd8ed1ab_0
sphinxcontrib-devhelp=1.0.2=py_0
sphinxcontrib-htmlhelp=2.0.1=pyhd8ed1ab_0
sphinxcontrib-jquery=4.1=pyhd8ed1ab_0
sphinxcontrib-jsmath=1.0.1=py_0
sphinxcontrib-qthelp=1.0.3=py_0
sphinxcontrib-serializinghtml=1.1.5=pyhd8ed1ab_2
sqlite=3.40.1=h5082296_0
stack_data=0.6.2=pyhd8ed1ab_0
tbb=2021.7.0=hdb19cb5_0
terminado=0.17.1=pyh41d4057_0
threadpoolctl=3.1.0=pyh8a188c0_0
tinycss2=1.2.1=pyhd8ed1ab_0
tk=8.6.12=h27826a3_0
toml=0.10.2=pyhd8ed1ab_0
tomli=2.0.1=pyhd8ed1ab_0
tornado=6.2=py39hb9d737c_1
tqdm=4.65.0=pyhd8ed1ab_1
traitlets=5.9.0=pyhd8ed1ab_0
typer=0.7.0=pyhd8ed1ab_0
typing-extensions=4.5.0=hd8ed1ab_0
typing_extensions=4.5.0=pyha770c72_0
tzdata=2022g=h191b570_0
unicodedata2=15.0.0=py39hb9d737c_0
urllib3=1.26.15=pyhd8ed1ab_0
wcwidth=0.2.6=pyhd8ed1ab_0
webencodings=0.5.1=py_1
websocket-client=1.5.1=pyhd8ed1ab_0
wheel=0.40.0=pyhd8ed1ab_0
widgetsnbextension=4.0.5=pyhd8ed1ab_0
xz=5.2.10=h5eee18b_1
yaml=0.2.5=h7f98852_2
zeromq=4.3.4=h9c3ff4c_1
zipp=3.15.0=pyhd8ed1ab_0
zlib=1.2.13=h166bdaf_4
zstd=1.5.2=h3eb15da_6