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GitHub / baitutanglj / cadd
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/baitutanglj%2Fcadd
Stars: 0
Forks: 0
Open Issues: 0
License: None
Language: Python
Repo Size: 0 Bytes
Dependencies:
615
Created: about 1 year ago
Updated: about 1 year ago
Last pushed: about 1 year ago
Last synced: about 1 year ago
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Dependencies
environment.yaml
conda
- *
- _libgcc_mutex 0.1
- _openmp_mutex 4.5
- abseil-cpp 20210324.1
- absl-py 0.13.0
- aiohttp 3.7.4.post0
- alabaster 0.7.12
- alsa-lib 1.2.3
- arrow-cpp 4.0.0
- asgiref 3.4.1
- astor 0.8.1
- astunparse 1.6.3
- async-timeout 3.0.1
- attrs 21.2.0
- aws-c-cal 0.5.11
- aws-c-common 0.6.2
- aws-c-event-stream 0.2.7
- aws-c-io 0.10.5
- aws-checksums 0.1.11
- aws-sdk-cpp 1.8.186
- babel 2.9.1
- base58 2.1.0
- blinker 1.4
- blosc 1.21.0
- 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
- c-ares 1.17.2
- ca-certificates 2021.5.30
- cachetools 4.2.2
- cairo 1.16.0
- certifi 2021.5.30
- cffi 1.14.6
- chardet 4.0.0
- charset-normalizer 2.0.0
- chembl_structure_pipeline 1.0.0
- click 8.0.1
- colorama 0.4.4
- cryptography 3.4.7
- cycler 0.10.0
- dataclasses 0.8
- dbus 1.13.6
- django 3.2.6
- docutils 0.16
- expat 2.4.1
- fontconfig 2.13.1
- fpsim2 0.2.8
- freetype 2.10.4
- gast 0.3.3
- gettext 0.19.8.1
- gflags 2.2.2
- glib 2.68.4
- glib-tools 2.68.4
- glog 0.5.0
- google-auth 1.35.0
- google-auth-oauthlib 0.4.5
- google-pasta 0.2.0
- greenlet 1.1.1
- grpc-cpp 1.37.1
- grpcio 1.38.1
- gst-plugins-base 1.18.4
- gstreamer 1.18.4
- h5py 2.10.0
- hdf5 1.10.6
- icu 68.1
- idna 3.1
- idna_ssl 1.1.0
- imagesize 1.2.0
- importlib-metadata 4.6.4
- jinja2 3.0.1
- jpeg 9d
- keras-preprocessing 1.1.2
- kiwisolver 1.3.1
- krb5 1.19.2
- lcms2 2.12
- ld_impl_linux-64 2.36.1
- libbrotlicommon 1.0.9
- libbrotlidec 1.0.9
- libbrotlienc 1.0.9
- libclang 11.1.0
- libcurl 7.78.0
- libedit 3.1.20191231
- libev 4.33
- libevent 2.1.10
- libffi 3.3
- libgcc-ng 11.1.0
- libgfortran-ng 7.5.0
- libgfortran4 7.5.0
- libglib 2.68.4
- libiconv 1.16
- libllvm10 10.0.1
- libllvm11 11.1.0
- libnghttp2 1.43.0
- libogg 1.3.4
- libopus 1.3.1
- libpng 1.6.37
- libpq 13.3
- libprotobuf 3.16.0
- libssh2 1.9.0
- libstdcxx-ng 11.1.0
- libthrift 0.14.1
- libtiff 4.2.0
- libutf8proc 2.6.1
- libuuid 2.32.1
- libvorbis 1.3.7
- libwebp-base 1.2.1
- libxcb 1.13
- libxkbcommon 1.0.3
- libxml2 2.9.12
- llvm-openmp 12.0.1
- llvmlite 0.36.0
- lz4-c 1.9.3
- lzo 2.10
- markdown 3.3.4
- markupsafe 2.0.1
- matplotlib-base 3.3.4
- meeko 0.1.dev3
- mkl 2020.4
- mkl-service 2.3.0
- mkl_fft 1.3.0
- mkl_random 1.2.0
- mock 4.0.3
- multidict 5.1.0
- mysql-common 8.0.25
- mysql-libs 8.0.25
- ncurses 6.2
- ninja 1.10.2
- nspr 4.30
- nss 3.69
- numba 0.53.1
- numexpr 2.7.3
- oauthlib 3.1.1
- olefile 0.46
- openbabel 3.1.1
- openjpeg 2.4.0
- openssl 1.1.1k
- opt_einsum 3.3.0
- orc 1.6.7
- packaging 21.0
- pandas 1.1.5
- parquet-cpp 1.5.1
- pcre 8.45
- pillow 8.2.0
- pip 21.2.4
- pixman 0.40.0
- protobuf 3.16.0
- pthread-stubs 0.4
- py4j 0.10.9
- pyarrow 4.0.0
- pyasn1 0.4.8
- pyasn1-modules 0.2.7
- pycairo 1.20.1
- pycparser 2.20
- pygments 2.10.0
- pyjwt 2.1.0
- pyopenssl 20.0.1
- pyparsing 2.4.7
- pyqt 5.12.3
- pyqt-impl 5.12.3
- pyqt5-sip 4.19.18
- pyqtchart 5.12
- pyqtwebengine 5.12.1
- pysocks 1.7.1
- pytables 3.6.1
- python-dateutil 2.8.2
- python_abi 3.6
- pytorch 1.1.0
- pytz 2021.1
- pyu2f 0.1.5
- qt 5.12.9
- rdkit 2021.03.3
- re2 2021.04.01
- readline 8.1
- reportlab 3.5.68
- requests 2.26.0
- requests-oauthlib 1.3.0
- rsa 4.7.2
- s2n 1.0.10
- setuptools 57.4.0
- six 1.16.0
- snappy 1.1.8
- snowballstemmer 2.1.0
- sphinx 4.0.2
- sphinx_rtd_theme 0.5.2
- sphinxcontrib-applehelp 1.0.2
- sphinxcontrib-devhelp 1.0.2
- sphinxcontrib-htmlhelp 2.0.0
- sphinxcontrib-jsmath 1.0.1
- sphinxcontrib-qthelp 1.0.3
- sphinxcontrib-serializinghtml 1.1.5
- sqlalchemy 1.4.23
- sqlite 3.36.0
- sqlparse 0.4.1
- swig 4.0.2
- tensorboard 2.6.0
- tensorboard-data-server 0.6.0
- tensorboard-plugin-wit 1.8.0
- tensorflow-estimator 2.5.0
- termcolor 1.1.0
- tk 8.6.11
- torchvision 0.3.0
- tornado 6.1
- typing-extensions 3.10.0.0
- typing_extensions 3.10.0.0
- urllib3 1.26.6
- vina 1.2.0.dev3
- werkzeug 2.0.1
- wheel 0.37.0
- wrapt 1.12.1
- 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 5.2.5
- yarl 1.6.3
- zipp 3.5.0
- zlib 1.2.11
- zstd 1.4.9
pyCode/environment.yaml
conda
- *
- _libgcc_mutex 0.1
- _openmp_mutex 4.5
- abseil-cpp 20210324.1
- absl-py 0.13.0
- aiohttp 3.7.4.post0
- alabaster 0.7.12
- alsa-lib 1.2.3
- arrow-cpp 4.0.0
- asgiref 3.4.1
- astor 0.8.1
- astunparse 1.6.3
- async-timeout 3.0.1
- attrs 21.2.0
- aws-c-cal 0.5.11
- aws-c-common 0.6.2
- aws-c-event-stream 0.2.7
- aws-c-io 0.10.5
- aws-checksums 0.1.11
- aws-sdk-cpp 1.8.186
- babel 2.9.1
- base58 2.1.0
- blinker 1.4
- blosc 1.21.0
- 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
- c-ares 1.17.2
- ca-certificates 2021.5.30
- cachetools 4.2.2
- cairo 1.16.0
- certifi 2021.5.30
- cffi 1.14.6
- chardet 4.0.0
- charset-normalizer 2.0.0
- chembl_structure_pipeline 1.0.0
- click 8.0.1
- colorama 0.4.4
- cryptography 3.4.7
- cycler 0.10.0
- dataclasses 0.8
- dbus 1.13.6
- django 3.2.6
- docutils 0.16
- expat 2.4.1
- fontconfig 2.13.1
- fpsim2 0.2.8
- freetype 2.10.4
- gast 0.3.3
- gettext 0.19.8.1
- gflags 2.2.2
- glib 2.68.4
- glib-tools 2.68.4
- glog 0.5.0
- google-auth 1.35.0
- google-auth-oauthlib 0.4.5
- google-pasta 0.2.0
- greenlet 1.1.1
- grpc-cpp 1.37.1
- grpcio 1.38.1
- gst-plugins-base 1.18.4
- gstreamer 1.18.4
- h5py 2.10.0
- hdf5 1.10.6
- icu 68.1
- idna 3.1
- idna_ssl 1.1.0
- imagesize 1.2.0
- importlib-metadata 4.6.4
- jinja2 3.0.1
- jpeg 9d
- keras-preprocessing 1.1.2
- kiwisolver 1.3.1
- krb5 1.19.2
- lcms2 2.12
- ld_impl_linux-64 2.36.1
- libbrotlicommon 1.0.9
- libbrotlidec 1.0.9
- libbrotlienc 1.0.9
- libclang 11.1.0
- libcurl 7.78.0
- libedit 3.1.20191231
- libev 4.33
- libevent 2.1.10
- libffi 3.3
- libgcc-ng 11.1.0
- libgfortran-ng 7.5.0
- libgfortran4 7.5.0
- libglib 2.68.4
- libiconv 1.16
- libllvm10 10.0.1
- libllvm11 11.1.0
- libnghttp2 1.43.0
- libogg 1.3.4
- libopus 1.3.1
- libpng 1.6.37
- libpq 13.3
- libprotobuf 3.16.0
- libssh2 1.9.0
- libstdcxx-ng 11.1.0
- libthrift 0.14.1
- libtiff 4.2.0
- libutf8proc 2.6.1
- libuuid 2.32.1
- libvorbis 1.3.7
- libwebp-base 1.2.1
- libxcb 1.13
- libxkbcommon 1.0.3
- libxml2 2.9.12
- llvm-openmp 12.0.1
- llvmlite 0.36.0
- lz4-c 1.9.3
- lzo 2.10
- markdown 3.3.4
- markupsafe 2.0.1
- matplotlib-base 3.3.4
- meeko 0.1.dev3
- mkl 2020.4
- mkl-service 2.3.0
- mkl_fft 1.3.0
- mkl_random 1.2.0
- mock 4.0.3
- multidict 5.1.0
- mysql-common 8.0.25
- mysql-libs 8.0.25
- ncurses 6.2
- ninja 1.10.2
- nspr 4.30
- nss 3.69
- numba 0.53.1
- numexpr 2.7.3
- oauthlib 3.1.1
- olefile 0.46
- openbabel 3.1.1
- openjpeg 2.4.0
- openssl 1.1.1k
- opt_einsum 3.3.0
- orc 1.6.7
- packaging 21.0
- pandas 1.1.5
- parquet-cpp 1.5.1
- pcre 8.45
- pillow 8.2.0
- pip 21.2.4
- pixman 0.40.0
- protobuf 3.16.0
- pthread-stubs 0.4
- py4j 0.10.9
- pyarrow 4.0.0
- pyasn1 0.4.8
- pyasn1-modules 0.2.7
- pycairo 1.20.1
- pycparser 2.20
- pygments 2.10.0
- pyjwt 2.1.0
- pyopenssl 20.0.1
- pyparsing 2.4.7
- pyqt 5.12.3
- pyqt-impl 5.12.3
- pyqt5-sip 4.19.18
- pyqtchart 5.12
- pyqtwebengine 5.12.1
- pysocks 1.7.1
- pytables 3.6.1
- python-dateutil 2.8.2
- python_abi 3.6
- pytorch 1.1.0
- pytz 2021.1
- pyu2f 0.1.5
- qt 5.12.9
- rdkit 2021.03.3
- re2 2021.04.01
- readline 8.1
- reportlab 3.5.68
- requests 2.26.0
- requests-oauthlib 1.3.0
- rsa 4.7.2
- s2n 1.0.10
- setuptools 57.4.0
- six 1.16.0
- snappy 1.1.8
- snowballstemmer 2.1.0
- sphinx 4.0.2
- sphinx_rtd_theme 0.5.2
- sphinxcontrib-applehelp 1.0.2
- sphinxcontrib-devhelp 1.0.2
- sphinxcontrib-htmlhelp 2.0.0
- sphinxcontrib-jsmath 1.0.1
- sphinxcontrib-qthelp 1.0.3
- sphinxcontrib-serializinghtml 1.1.5
- sqlalchemy 1.4.23
- sqlite 3.36.0
- sqlparse 0.4.1
- swig 4.0.2
- tensorboard 2.6.0
- tensorboard-data-server 0.6.0
- tensorboard-plugin-wit 1.8.0
- tensorflow-estimator 2.5.0
- termcolor 1.1.0
- tk 8.6.11
- torchvision 0.3.0
- tornado 6.1
- typing-extensions 3.10.0.0
- typing_extensions 3.10.0.0
- urllib3 1.26.6
- vina 1.2.0.dev3
- werkzeug 2.0.1
- wheel 0.37.0
- wrapt 1.12.1
- 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 5.2.5
- yarl 1.6.3
- zipp 3.5.0
- zlib 1.2.11
- zstd 1.4.9
- GitPython ==3.1.20
- Mako ==1.1.4
- MolVS ==0.1.1
- PubChemPy ==1.0.4
- PyQt5 ==5.12.3
- PyQt5_sip ==4.19.18
- PyQtChart ==5.12
- PyQtWebEngine ==5.12.1
- PyYAML ==5.4.1
- SQLAlchemy ==1.4.6
- alabaster ==0.7.12
- altair ==4.1.0
- appdirs ==1.4.4
- argcomplete ==1.12.3
- async-timeout ==3.0.1
- backcall ==0.2.0
- backports.zoneinfo ==0.2.1
- beautifulsoup4 ==4.9.3
- bel-resources ==0.0.3
- bioregistry ==0.1.2
- bioversions ==0.1.1
- blinker ==1.4
- boto3 ==1.17.48
- botocore ==1.20.48
- brotlipy ==0.7.0
- bytecode ==1.4.1
- cachier ==1.5.0
- certifi ==2021.5.30
- click-default-group ==1.2.2
- click-plugins ==1.1.1
- configparser ==5.0.2
- cycler ==0.10.0
- dataclasses ==0.8
- dataclasses-json ==0.5.2
- datasets ==1.11.0
- decorator ==5.0.9
- deepsmiles ==1.0.1
- dill ==0.3.4
- docker-pycreds ==0.4.0
- drugbank-downloader ==0.1.0
- elftools ==0.1.0.dev0
- entrypoints ==0.3
- filelock ==3.0.12
- fsspec ==2021.7.0
- future ==0.18.2
- gast ==0.3.3
- gitdb ==4.0.7
- google-pasta ==0.2.0
- graphql-core ==3.1.5
- greenlet ==1.0.0
- huggingface-hub ==0.0.15
- humanize ==3.3.0
- imagesize ==1.2.0
- importlib-resources ==5.2.2
- ipykernel ==6.1.0
- ipython ==7.26.0
- ipython-genutils ==0.2.0
- ipywidgets ==8.0.0a5
- isodate ==0.6.0
- jedi ==0.18.0
- jmespath ==0.10.0
- joblib ==1.0.1
- jsonschema ==3.2.0
- jupyter-client ==6.2.0
- jupyter-core ==4.7.1
- jupyterlab-widgets ==2.0.0a2
- kafka-python ==2.0.2
- llvmlite ==0.36.0
- lxml ==4.6.3
- marshmallow ==3.11.1
- marshmallow-enum ==1.5.1
- matplotlib-inline ==0.1.2
- mkl-fft ==1.3.0
- mkl-random ==1.2.0
- mkl-service ==2.3.0
- more-click ==0.0.3
- more-itertools ==8.7.0
- multiprocess ==0.70.12.2
- multisplitby ==0.0.1
- mypy-extensions ==0.4.3
- nbformat ==5.1.3
- nest-asyncio ==1.5.1
- obonet ==0.3.0
- p5py ==1.0.0
- pandas ==1.1.5
- parso ==0.8.2
- pathtools ==0.1.2
- pep517 ==0.10.0
- pexpect ==4.8.0
- pickle5 ==0.0.11
- pickleshare ==0.7.5
- portalocker ==2.3.0
- promise ==2.3
- prompt-toolkit ==3.0.19
- protmapper ==0.0.21
- protobuf ==3.16.0
- psutil ==5.8.0
- psycopg2 ==2.7.7
- ptyprocess ==0.7.0
- pyarrow ==4.0.0
- pyasn1 ==0.4.8
- pyasn1-modules ==0.2.7
- pybel ==0.15.2
- pycairo ==1.20.1
- pycuda ==2021.1
- pydeck ==0.6.2
- pyobo ==0.3.3
- pyparsing ==2.4.7
- pyrsistent ==0.17.3
- pystow ==0.1.0
- pytools ==2021.2.7
- pyzmq ==22.2.1
- ratelimit ==2.2.1
- rdflib ==5.0.0
- regex ==2021.8.3
- reportlab ==3.5.68
- requests-file ==1.5.1
- requests-ftp ==0.3.1
- s3transfer ==0.3.6
- sacremoses ==0.0.45
- scikit-cuda ==0.5.2
- scikit-learn ==0.24.2
- sentencepiece ==0.1.96
- sentry-sdk ==1.3.1
- seqeval ==1.2.2
- shortuuid ==1.0.1
- simpletransformers ==0.61.13
- sklearn ==0.0
- smmap ==4.0.0
- soupsieve ==2.2.1
- sphinxcontrib-applehelp ==1.0.2
- sphinxcontrib-devhelp ==1.0.2
- sphinxcontrib-jsmath ==1.0.1
- sphinxcontrib-qthelp ==1.0.3
- streamlit ==0.86.0
- stringcase ==1.2.0
- subprocess32 ==3.5.4
- tabulate ==0.8.9
- tb-nightly ==2.5.0a20210224
- tensorboardX ==2.4
- tensorflow ==2.2.0
- termcolor ==1.1.0
- threadpoolctl ==2.1.0
- tokenizers ==0.10.3
- toml ==0.10.2
- toolz ==0.11.1
- torch ==1.1.0
- torchvision ==0.3.0
- traitlets ==5.0.5
- transformers ==4.5.1
- typing-inspect ==0.6.0
- tzlocal ==3.0b1
- validators ==0.18.2
- vina ==1.2.0.dev3
- wandb ==0.12.0
- watchdog ==2.0.2
- wcwidth ==0.2.5
- widgetsnbextension ==4.0.0a3
- xxhash ==2.0.2