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GitHub / JanoschMenke / kinase_nnfp-1

Code to generate kinase-specific fingerprints based on the ECFP4 1024bits

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/JanoschMenke%2Fkinase_nnfp-1

Fork of kochgroup/kinase_nnfp
Stars: 0
Forks: 0
Open Issues: 0

License: None
Language:
Repo Size: 5.63 MB
Dependencies: 186

Created: about 3 years ago
Updated: 9 months ago
Last pushed: over 3 years ago
Last synced: 9 months ago

Files

Readme

Dependencies

environment.yml conda

_libgcc_mutex 0.1
alabaster 0.7.12
appdirs 1.4.4
argh 0.26.2
astroid 2.4.2
async_generator 1.10
atomicwrites 1.4.0
attrs 20.3.0
autopep8 1.5.4
babel 2.9.0
backcall 0.2.0
black 19.10b0
blas 1.0
bleach 3.2.1
brotlipy 0.7.0
bzip2 1.0.8
ca-certificates 2020.12.8
cairo 1.14.12
certifi 2020.12.5
cffi 1.14.4
chardet 3.0.4
click 7.1.2
cloudpickle 1.6.0
cryptography 3.3.1
cudatoolkit 10.2.89
dbus 1.13.18
decorator 4.4.2
defusedxml 0.6.0
diff-match-patch 20200713
docutils 0.16
entrypoints 0.3
expat 2.2.10
flake8 3.8.4
fontconfig 2.13.0
freetype 2.10.4
future 0.18.2
glib 2.66.1
gst-plugins-base 1.14.0
gstreamer 1.14.0
icu 58.2
idna 2.10
imagesize 1.2.0
importlib-metadata 2.0.0
importlib_metadata 2.0.0
intel-openmp 2020.2
intervaltree 3.1.0
ipykernel 5.3.4
ipython 7.19.0
ipython_genutils 0.2.0
isort 5.6.4
jedi 0.17.2
jeepney 0.6.0
jinja2 2.11.2
jpeg 9b
jsonschema 3.2.0
jupyter_client 6.1.7
jupyter_core 4.7.0
jupyterlab_pygments 0.1.2
keyring 21.4.0
lazy-object-proxy 1.4.3
lcms2 2.11
ld_impl_linux-64 2.33.1
libboost 1.67.0
libedit 3.1.20191231
libffi 3.3
libgcc-ng 9.1.0
libpng 1.6.37
libsodium 1.0.18
libspatialindex 1.9.3
libstdcxx-ng 9.1.0
libtiff 4.1.0
libuuid 1.0.3
libxcb 1.14
libxml2 2.9.10
lz4-c 1.9.2
markupsafe 1.1.1
mccabe 0.6.1
mistune 0.8.4
mkl 2020.2
mkl-service 2.3.0
mkl_fft 1.2.0
mkl_random 1.1.1
mypy_extensions 0.4.3
nbclient 0.5.1
nbconvert 6.0.7
nbformat 5.0.8
ncurses 6.2
nest-asyncio 1.4.3
ninja 1.10.2
numpy 1.19.2
numpy-base 1.19.2
numpydoc 1.1.0
olefile 0.46
openssl 1.1.1i
packaging 20.8
pandas 1.1.5
pandoc 2.11
pandocfilters 1.4.3
parso 0.7.0
pathspec 0.7.0
pathtools 0.1.2
pcre 8.44
pexpect 4.8.0
pickleshare 0.7.5
pillow 8.0.1
pip 20.3.3
pixman 0.40.0
pluggy 0.13.1
prompt-toolkit 3.0.8
psutil 5.7.2
ptyprocess 0.6.0
py-boost 1.67.0
pycodestyle 2.6.0
pycparser 2.20
pydocstyle 5.1.1
pyflakes 2.2.0
pygments 2.7.3
pylint 2.6.0
pyls-black 0.4.6
pyls-spyder 0.3.0
pyopenssl 20.0.1
pyparsing 2.4.7
pyqt 5.9.2
pyrsistent 0.17.3
pysocks 1.7.1
python 3.7.9
python-dateutil 2.8.1
python-jsonrpc-server 0.4.0
python-language-server 0.36.2
pytorch 1.6.0
pytz 2020.4
pyxdg 0.27
pyyaml 5.3.1
pyzmq 20.0.0
qdarkstyle 2.8.1
qt 5.9.7
qtawesome 1.0.1
qtconsole 4.7.7
qtpy 1.9.0
rdkit 2019.03.4.0
readline 8.0
regex 2020.11.13
requests 2.25.0
rope 0.18.0
rtree 0.9.4
secretstorage 3.3.0
setuptools 51.0.0
sip 4.19.8
six 1.15.0
snowballstemmer 2.0.0
sortedcontainers 2.3.0
sphinx 3.2.1
sphinxcontrib-applehelp 1.0.2
sphinxcontrib-devhelp 1.0.2
sphinxcontrib-htmlhelp 1.0.3
sphinxcontrib-jsmath 1.0.1
sphinxcontrib-qthelp 1.0.3
sphinxcontrib-serializinghtml 1.1.4
spyder 4.2.0
spyder-kernels 1.10.0
sqlite 3.33.0
testpath 0.4.4
three-merge 0.1.1
tk 8.6.10
toml 0.10.1
torchvision 0.7.0
tornado 6.1
tqdm 4.54.1
traitlets 5.0.5
typed-ast 1.4.1
typing_extensions 3.7.4.3
ujson 4.0.1
urllib3 1.25.11
watchdog 0.10.4
wcwidth 0.2.5
webencodings 0.5.1
wheel 0.36.2
wrapt 1.11.2
wurlitzer 2.0.1
xz 5.2.5
yaml 0.2.5
yapf 0.30.0
zeromq 4.3.3
zipp 3.4.0
zlib 1.2.11
zstd 1.4.5