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GitHub / michabirklbauer / PIAWeb
PIAWeb - a graphical web interface for PIA
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/michabirklbauer%2FPIAWeb
Stars: 3
Forks: 0
Open Issues: 0
License: mit
Language: Python
Repo Size: 59.6 KB
Dependencies:
144
Created: over 2 years ago
Updated: about 1 year ago
Last pushed: over 1 year ago
Last synced: 12 months ago
Topics: docker, docking, drug-design, drug-discovery, frequency, protein-ligand-docking, protein-ligand-interactions, scoring, streamlit
Files
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Readme
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Dependencies
- actions/checkout v2 composite
.github/workflows/python-app.yml
actions
- actions/checkout v2 composite
- actions/setup-python v2 composite
environment.yml
conda
- argon2-cffi 20.1.0.*
- async_generator 1.10.*
- attrs 20.3.0.*
- backcall 0.2.0.*
- biopandas 0.2.7.*
- biopython 1.78.*
- blas 1.0.*
- bleach 3.3.0.*
- boost 1.74.0.*
- boost-cpp 1.74.0.*
- brotlipy 0.7.0.*
- bzip2 1.0.8.*
- ca-certificates 2021.5.25.*
- cairo 1.16.0.*
- certifi 2021.5.30.*
- cffi 1.14.5.*
- chardet 4.0.0.*
- colorama 0.4.4.*
- console_shortcut 0.1.1.*
- cryptography 3.3.1.*
- cudatoolkit 11.1.1.*
- cycler 0.10.0.*
- decorator 4.4.2.*
- defusedxml 0.7.0.*
- entrypoints 0.3.*
- fftw 3.3.9.*
- freetype 2.10.4.*
- gettext 0.19.8.1.*
- greenlet 1.0.0.*
- icc_rt 2019.0.0.*
- icu 68.1.*
- idna 2.10.*
- importlib-metadata 2.0.0.*
- importlib_metadata 2.0.0.*
- intel-openmp 2020.2.*
- ipykernel 5.3.4.*
- ipython 7.21.0.*
- ipython_genutils 0.2.0.*
- jedi 0.17.0.*
- jinja2 2.11.3.*
- joblib 1.0.1.*
- jpeg 9d.*
- json5 0.9.5.*
- jsonschema 3.2.0.*
- jupyter_client 6.1.7.*
- jupyter_core 4.7.1.*
- jupyterlab 2.2.6.*
- jupyterlab_pygments 0.1.2.*
- jupyterlab_server 1.2.0.*
- khronos-opencl-icd-loader 2020.12.18.*
- kiwisolver 1.3.1.*
- lcms2 2.12.*
- libffi 3.3.*
- libglib 2.66.7.*
- libiconv 1.16.*
- libpng 1.6.37.*
- libsodium 1.0.18.*
- libtiff 4.2.0.*
- libxml2 2.9.10.*
- lz4-c 1.9.3.*
- m2w64-gcc-libgfortran 5.3.0.*
- m2w64-gcc-libs 5.3.0.*
- m2w64-gcc-libs-core 5.3.0.*
- m2w64-gmp 6.1.0.*
- m2w64-libwinpthread-git 5.0.0.4634.697f757.*
- markupsafe 1.1.1.*
- matplotlib-base 3.3.4.*
- mistune 0.8.4.*
- mkl 2020.2.*
- mkl-service 2.3.0.*
- mkl_fft 1.3.0.*
- mkl_random 1.1.1.*
- msys2-conda-epoch 20160418.*
- nbclient 0.5.3.*
- nbconvert 6.0.7.*
- nbformat 5.1.2.*
- nest-asyncio 1.5.1.*
- notebook 6.2.0.*
- numpy-base 1.19.2.*
- olefile 0.46.*
- openbabel 3.1.1.*
- openmm 7.5.0.*
- openssl 1.1.1k.*
- packaging 20.9.*
- pandas 1.2.3.*
- pandoc 2.11.*
- pandocfilters 1.4.3.*
- parso 0.8.1.*
- pcre 8.44.*
- pickleshare 0.7.5.*
- pillow 8.1.2.*
- pip 21.0.1.*
- pixman 0.40.0.*
- powershell_shortcut 0.0.1.*
- prometheus_client 0.9.0.*
- prompt-toolkit 3.0.8.*
- pycairo 1.20.0.*
- pycparser 2.20.*
- pygments 2.8.0.*
- pyopenssl 20.0.1.*
- pyparsing 2.4.7.*
- pyrsistent 0.17.3.*
- pysocks 1.7.1.*
- python 3.8.8.*
- python-dateutil 2.8.1.*
- python_abi 3.8.*
- pytz 2021.1.*
- pywin32 227.*
- pywinpty 0.5.7.*
- pyzmq 20.0.0.*
- rdkit 2020.09.5.*
- reportlab 3.5.65.*
- requests 2.25.1.*
- scikit-learn 0.24.2.*
- scipy 1.6.2.*
- send2trash 1.5.0.*
- setuptools 52.0.0.*
- six 1.15.0.*
- sqlalchemy 1.4.1.*
- sqlite 3.33.0.*
- terminado 0.9.2.*
- testpath 0.4.4.*
- threadpoolctl 2.1.0.*
- tk 8.6.10.*
- tornado 6.1.*
- traitlets 5.0.5.*
- urllib3 1.26.3.*
- vc 14.2.*
- vs2015_runtime 14.27.29016.*
- wcwidth 0.2.5.*
- webencodings 0.5.1.*
- wheel 0.36.2.*
- win_inet_pton 1.1.0.*
- wincertstore 0.2.*
- winpty 0.4.3.*
- xz 5.2.5.*
- zeromq 4.3.3.*
- zipp 3.4.0.*
- zlib 1.2.11.*
- zstd 1.4.9.*
Dockerfile
docker
- ubuntu 20.04 build