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GitHub / warner121 / wizepair2
Identification and encoding of matched molecular pairs using MCSS
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/warner121%2Fwizepair2
Stars: 7
Forks: 1
Open Issues: 0
License: None
Language: Jupyter Notebook
Repo Size: 6.35 MB
Dependencies:
197
Created: almost 11 years ago
Updated: 12 months ago
Last pushed: about 1 year ago
Last synced: 10 months ago
Files
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Readme
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Dependencies
environment.yaml
conda
- _libgcc_mutex 0.1
- _openmp_mutex 4.5
- anyio 3.6.1
- argon2-cffi 21.3.0
- argon2-cffi-bindings 21.2.0
- asn1crypto 1.5.1
- attrs 22.1.0
- babel 2.10.3
- backcall 0.2.0
- backports 1.0
- backports.functools_lru_cache 1.6.4
- beautifulsoup4 4.11.1
- bleach 5.0.1
- boost 1.74.0
- boost-cpp 1.74.0
- brotli 1.0.9
- brotli-bin 1.0.9
- brotlipy 0.7.0
- bzip2 1.0.8
- ca-certificates 2022.07.19
- cairo 1.16.0
- certifi 2022.9.14
- cffi 1.14.4
- charset-normalizer 2.1.1
- click 8.0.4
- cryptography 2.5
- cycler 0.11.0
- dataclasses 0.8
- debugpy 1.6.3
- decorator 5.1.1
- defusedxml 0.7.1
- dill 0.3.5.1
- entrypoints 0.4
- expat 2.4.9
- flask 2.1.3
- flit-core 3.7.1
- fontconfig 2.14.0
- fonttools 4.37.3
- freetype 2.12.1
- func_timeout 4.3.5
- gettext 0.19.8.1
- greenlet 1.1.3
- icu 67.1
- idna 3.4
- importlib-metadata 4.11.4
- importlib_metadata 4.11.4
- importlib_resources 5.9.0
- ipykernel 6.15.3
- ipython 7.33.0
- ipython_genutils 0.2.0
- ipywidgets 8.0.2
- itsdangerous 2.0.1
- jedi 0.18.1
- jinja2 3.1.2
- jpeg 9e
- json5 0.9.5
- jsonschema 4.16.0
- jupyter_client 7.3.5
- jupyter_core 4.11.1
- jupyter_server 1.18.1
- jupyterlab 3.4.7
- jupyterlab_pygments 0.2.2
- jupyterlab_server 2.15.1
- jupyterlab_widgets 3.0.3
- kiwisolver 1.4.4
- lcms2 2.12
- libblas 3.9.0
- libbrotlicommon 1.0.9
- libbrotlidec 1.0.9
- libbrotlienc 1.0.9
- libcblas 3.9.0
- libffi 3.2.1
- libgcc-ng 12.1.0
- libgfortran-ng 12.1.0
- libgfortran5 12.1.0
- libglib 2.66.3
- libgomp 12.1.0
- libiconv 1.16
- liblapack 3.9.0
- libopenblas 0.3.21
- libpng 1.6.38
- libsodium 1.0.18
- libstdcxx-ng 12.1.0
- libtiff 4.2.0
- libuuid 2.32.1
- libwebp-base 1.2.4
- libxcb 1.13
- libxml2 2.9.10
- libxslt 1.1.33
- libzlib 1.2.12
- lxml 4.8.0
- lz4-c 1.9.3
- markupsafe 2.1.1
- matplotlib-base 3.5.3
- matplotlib-inline 0.1.6
- mistune 2.0.4
- munkres 1.1.4
- nbclassic 0.4.3
- nbclient 0.6.8
- nbconvert 7.0.0
- nbconvert-core 7.0.0
- nbconvert-pandoc 7.0.0
- nbformat 5.6.0
- ncurses 6.3
- nest-asyncio 1.5.5
- networkx 2.7.1
- notebook 6.4.12
- notebook-shim 0.1.0
- numpy 1.21.6
- olefile 0.46
- openjpeg 2.4.0
- openssl 1.0.2u
- packaging 21.3
- pandarallel 1.6.1
- pandas 1.3.5
- pandoc 2.19.2
- pandocfilters 1.5.0
- parso 0.8.3
- pcre 8.45
- pexpect 4.8.0
- pickleshare 0.7.5
- pillow 8.2.0
- pip 22.2.2
- pixman 0.40.0
- pkgutil-resolve-name 1.3.10
- prometheus_client 0.14.1
- prompt-toolkit 3.0.31
- psutil 5.9.2
- pthread-stubs 0.4
- ptyprocess 0.7.0
- pycairo 1.21.0
- pycparser 2.21
- pygments 2.13.0
- pyopenssl 19.0.0
- pyparsing 3.0.9
- pyrsistent 0.18.1
- pysocks 1.7.1
- python 3.7.0
- python-dateutil 2.8.2
- python-fastjsonschema 2.16.2
- python_abi 3.7
- pytz 2022.2.1
- pyzmq 24.0.1
- rdkit 2022.03.5
- readline 7.0
- reportlab 3.5.68
- requests 2.28.1
- scipy 1.7.3
- send2trash 1.8.0
- setuptools 59.8.0
- six 1.16.0
- sniffio 1.3.0
- soupsieve 2.3.2.post1
- sqlalchemy 1.4.41
- sqlite 3.28.0
- terminado 0.15.0
- tinycss2 1.1.1
- tk 8.6.12
- tomli 2.0.1
- tornado 6.2
- traitlets 5.4.0
- typing-extensions 4.3.0
- typing_extensions 4.3.0
- unicodedata2 14.0.0
- urllib3 1.26.11
- wcwidth 0.2.5
- webencodings 0.5.1
- websocket-client 1.4.1
- werkzeug 2.0.3
- wheel 0.37.1
- widgetsnbextension 4.0.3
- xorg-kbproto 1.0.7
- xorg-libice 1.0.10
- xorg-libsm 1.2.3
- xorg-libx11 1.7.2
- xorg-libxau 1.0.9
- xorg-libxdmcp 1.1.3
- xorg-libxext 1.3.4
- xorg-libxrender 0.9.10
- xorg-renderproto 0.11.1
- xorg-xextproto 7.3.0
- xorg-xproto 7.0.31
- xz 5.2.6
- zeromq 4.3.4
- zipp 3.8.1
- zlib 1.2.12
- zstd 1.4.9
Dockerfile
docker
- python 3.7 build
requirements.txt
pypi
- Flask >=2.1.2,<3.0
- func_timeout *
- google-cloud-logging *
- gunicorn *
- networkx >=2.6.3
- pandarallel *
- pandas >=1.3.5,<2.0
- rdkit >=2022.03.5
- skelo ==0.1.5