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GitHub / EricBoittier / PCProject
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/EricBoittier%2FPCProject
Stars: 0
Forks: 0
Open Issues: 0
License: None
Language: Jupyter Notebook
Repo Size: 945 MB
Dependencies:
323
Created: 8 months ago
Updated: 8 months ago
Last pushed: 8 months ago
Last synced: 2 days ago
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Dependencies
requirements.txt
pypi
- absl-py =1.0.0=pypi_0
- adcc =0.15.9=py37heb0550a_0
- addict =2.4.0=pypi_0
- aiohttp =3.7.4=py37h27cfd23_1
- ambit =0.5.1=hbda204a_0
- anyio =3.5.0=pypi_0
- argon2-cffi =21.3.0=pypi_0
- argon2-cffi-bindings =21.2.0=pypi_0
- ase =3.22.1=pypi_0
- astor =0.8.1=pypi_0
- astunparse =1.6.3=pypi_0
- async-timeout =3.0.1=py37h06a4308_0
- attrs =21.2.0=pyhd3eb1b0_0
- babel =2.10.1=pypi_0
- backcall =0.2.0=pyhd3eb1b0_0
- beautifulsoup4 =4.11.1=pypi_0
- binutils =2.40=hdd6e379_0
- binutils_impl_linux-64 =2.40=hf600244_0
- binutils_linux-64 =2.40=hbdbef99_2
- blas =1.0=mkl
- bleach =5.0.0=pypi_0
- bottleneck =1.3.2=py37heb32a55_1
- brotli =1.1.0=hd590300_0
- brotli-bin =1.1.0=hd590300_0
- brotlipy =0.7.0=py37h27cfd23_1003
- c-ares =1.19.1=hd590300_0
- c-compiler =1.6.0=hd590300_0
- ca-certificates =2023.7.22=hbcca054_0
- cached-property =1.5.2=py_0
- cachetools =4.2.2=pyhd3eb1b0_0
- certifi =2023.7.22=pyhd8ed1ab_0
- cffi =1.14.6=py37h400218f_0
- chardet =3.0.4=py37h06a4308_1003
- chemps2 =1.8.9=hbda204a_2
- cirq =0.9.1=py_0
- cloudpickle =2.0.0=pypi_0
- colorama =0.4.6=pyhd8ed1ab_0
- conda =22.9.0=py37h89c1867_1
- conda-package-handling =1.7.3=py37h27cfd23_1
- coverage =5.5=py37h27cfd23_2
- cryptography =3.4.7=py37hd23ed53_0
- cxx-compiler =1.6.0=h00ab1b0_0
- cycler =0.10.0=py37_0
- cython =0.29.24=py37h295c915_0
- dbus =1.13.6=he372182_0
- debugpy =1.5.1=py37h295c915_0
- decorator =5.1.1=pyhd3eb1b0_0
- defusedxml =0.7.1=pypi_0
- deprecation =2.1.0=pypi_0
- dftd3 =3.2.1=h84218bc_2
- dftd4 =3.5.0=h03160e7_0
- dkh =1.2=h173d85e_2
- dm-sonnet =2.0.0=pypi_0
- dm-tree =0.1.7=pypi_0
- entrypoints =0.4=py37h06a4308_0
- exceptiongroup =1.1.3=pyhd8ed1ab_0
- expat =2.5.0=hcb278e6_1
- faerun-notebook =0.1.1b0=pypi_0
- fastjsonschema =2.15.3=pypi_0
- flatbuffers =1.12=pypi_0
- fockci =0.2.0=pyh681c21d_0
- fontconfig =2.14.2=h14ed4e7_0
- fonttools =4.25.0=pyhd3eb1b0_0
- freetype =2.12.1=h267a509_2
- future =0.18.2=pypi_0
- gast =0.4.0=pypi_0
- gau2grid =2.0.7=h0b41bf4_2
- gcc =12.3.0=h8d2909c_2
- gcc_impl_linux-64 =12.3.0=he2b93b0_2
- gcc_linux-64 =12.3.0=h76fc315_2
- gcp =2.0.2=he991be0_2
- gdma =2.2.6=h0e1e685_6
- glib =2.69.1=h4ff587b_1
- gmp =6.2.1=h58526e2_0
- gmpy2 =2.0.8=py37h10f8cd9_2
- google-api-core =1.25.1=pyhd3eb1b0_0
- google-api-core-grpc =1.25.1=h06a4308_0
- google-auth =1.33.0=pyhd3eb1b0_0
- google-auth-oauthlib =0.4.6=pypi_0
- google-pasta =0.2.0=pypi_0
- googleapis-common-protos =1.53.0=py37h06a4308_0
- graph-nets =1.1.0=pypi_0
- grpcio =1.36.1=py37h2157cd5_1
- gst-plugins-base =1.14.1=h6a678d5_1
- gstreamer =1.14.1=h5eee18b_1
- gxx =12.3.0=h8d2909c_2
- gxx_impl_linux-64 =12.3.0=he2b93b0_2
- gxx_linux-64 =12.3.0=h8a814eb_2
- h5py =3.2.1=py37h6c542dc_0
- hdf5 =1.10.6=nompi_h6a2412b_1114
- icu =58.2=hf484d3e_1000
- idna =2.10=pyhd3eb1b0_0
- importlib-metadata =4.11.3=pypi_0
- importlib_metadata =1.5.0=py37_0
- importlib_resources =5.2.0=pyhd3eb1b0_1
- iniconfig =1.1.1=pyhd3eb1b0_0
- intel-openmp =2021.4.0=h06a4308_3561
- ipykernel =6.15.0=pyh210e3f2_0
- ipympl =0.9.2=pypi_0
- ipython =7.31.1=py37h06a4308_0
- ipython-genutils =0.2.0=pypi_0
- ipython_genutils =0.2.0=py_1
- ipywidgets =7.7.0=pypi_0
- jedi =0.18.1=py37h06a4308_1
- jinja2 =3.1.2=pypi_0
- joblib =1.1.0=pypi_0
- jpeg =9e=h0b41bf4_3
- json5 =0.9.6=pypi_0
- jsonschema =4.4.0=pypi_0
- jupyter-packaging =0.12.0=pypi_0
- jupyter-server =1.17.0=pypi_0
- jupyter_client =7.2.2=py37h06a4308_0
- jupyter_core =4.9.2=py37h06a4308_0
- jupyterlab =3.4.0=pypi_0
- jupyterlab-pygments =0.2.2=pypi_0
- jupyterlab-server =2.13.0=pypi_0
- jupyterlab-widgets =1.1.0=pypi_0
- jupyterlab_widgets =3.0.9=pyhd8ed1ab_0
- keras =2.9.0rc2=pypi_0
- keras-applications =1.0.8=pypi_0
- keras-preprocessing =1.1.2=pypi_0
- kernel-headers_linux-64 =2.6.32=he073ed8_16
- keyutils =1.6.1=h166bdaf_0
- kiwisolver =1.3.1=py37h2531618_0
- krb5 =1.20.1=hf9c8cef_0
- lcms2 =2.12=h3be6417_0
- ld_impl_linux-64 =2.40=h41732ed_0
- libblas =3.9.0=8_mkl
- libbrotlicommon =1.1.0=hd590300_0
- libbrotlidec =1.1.0=hd590300_0
- libbrotlienc =1.1.0=hd590300_0
- libcblas =3.9.0=8_mkl
- libclang =14.0.1=pypi_0
- libcurl =7.87.0=h6312ad2_0
- libedit =3.1.20191231=he28a2e2_2
- libefp =1.5.0=h57d4c7f_2
- libev =4.33=h516909a_1
- libexpat =2.5.0=hcb278e6_1
- libffi =3.3=h58526e2_2
- libgcc-devel_linux-64 =12.3.0=h8bca6fd_2
- libgcc-ng =13.2.0=h807b86a_2
- libgfortran-ng =13.2.0=h69a702a_2
- libgfortran5 =13.2.0=ha4646dd_2
- libgomp =13.2.0=h807b86a_2
- libint2 =2.6.0=hc9558a2_9
- liblapack =3.9.0=8_mkl
- libnghttp2 =1.51.0=hdcd2b5c_0
- libpng =1.6.39=h753d276_0
- libprotobuf =3.17.2=h4ff587b_1
- libsanitizer =12.3.0=h0f45ef3_2
- libsodium =1.0.18=h36c2ea0_1
- libsqlite =3.43.0=h2797004_0
- libssh2 =1.10.0=haa6b8db_3
- libstdcxx-devel_linux-64 =12.3.0=h8bca6fd_2
- libstdcxx-ng =13.2.0=h7e041cc_2
- libtensorlight =3.0.1=heb0550a_0
- libtiff =4.2.0=h85742a9_0
- libuuid =2.38.1=h0b41bf4_0
- libwebp-base =1.3.2=hd590300_0
- libxc =5.1.5=h84b9e52_1
- libxcb =1.16=hd590300_0
- libxml2 =2.9.14=h74e7548_0
- libzlib =1.2.13=hd590300_5
- llvm-openmp =14.0.6=h9e868ea_0
- lz4-c =1.9.3=h9c3ff4c_1
- markdown =3.3.6=pypi_0
- markupsafe =2.1.1=pypi_0
- matplotlib =3.4.2=py37h06a4308_0
- matplotlib-base =3.4.2=py37hab158f2_0
- matplotlib-inline =0.1.2=pyhd3eb1b0_2
- mctc-lib =0.3.1=h74f4db8_0
- mistune =0.8.4=pypi_0
- mkl =2020.4=h726a3e6_304
- mkl-service =2.3.0=py37he8ac12f_0
- mkl_fft =1.3.0=py37h54f3939_0
- mkl_random =1.1.1=py37h0573a6f_0
- mock =5.1.0=pypi_0
- more-itertools =8.8.0=pyhd3eb1b0_0
- mp2d =1.1.0=hfd86e86_0
- mpc =1.3.1=hfe3b2da_0
- mpfr =4.2.0=hb012696_0
- mpi =1.0=openmpi
- mpmath =1.2.1=py37h06a4308_0
- multidict =5.1.0=py37h27cfd23_2
- munkres =1.1.4=py_0
- nbclassic =0.3.7=pypi_0
- nbclient =0.6.2=pypi_0
- nbconvert =6.5.0=pypi_0
- nbformat =5.4.0=pypi_0
- ncurses =6.4=hcb278e6_0
- nest-asyncio =1.5.5=py37h06a4308_0
- networkx =2.6.2=pyhd3eb1b0_0
- nglview =3.0.8=pyh1da8cd4_0
- notebook =6.4.11=pypi_0
- notebook-shim =0.1.0=pypi_0
- numexpr =2.7.3=py37hb2eb853_0
- numpy =1.21.6=pypi_0
- numpy-base =1.19.2=py37hfa32c7d_0
- oauthlib =3.2.0=pypi_0
- olefile =0.46=py37_0
- open3d =0.9.0.0=pypi_0
- openfermion =1.0=pyhc97219c_0
- openfermionpsi4 =0.5=pyhe314294_0
- openjpeg =2.3.1=hf7af979_3
- openmpi =4.1.4=ha1ae619_100
- openssl =1.1.1w=hd590300_0
- opt_einsum =3.3.0=pyhd3eb1b0_1
- packaging =21.0=pyhd3eb1b0_0
- pandas =1.3.1=py37h8c16a72_0
- pandocfilters =1.5.0=pypi_0
- parso =0.8.3=pyhd3eb1b0_0
- pcmsolver =1.2.1.1=py37h6d17ec8_2
- pcre =8.45=h9c3ff4c_0
- pexpect =4.8.0=pyhd3eb1b0_3
- pickleshare =0.7.5=pyhd3eb1b0_1003
- pillow =8.3.1=py37h2c7a002_0
- pint =0.17=pyhd8ed1ab_0
- pip =21.2.2=py37h06a4308_0
- pluggy =0.13.1=py37h06a4308_0
- prometheus-client =0.14.1=pypi_0
- prompt-toolkit =3.0.20=pyhd3eb1b0_0
- protobuf =3.17.2=py37h295c915_0
- psi4 =1.4
- psi4-rt =1.4=py37h84cf28d_0
- psutil =5.8.0=py37h27cfd23_1
- pthread-stubs =0.4=h36c2ea0_1001
- ptyprocess =0.7.0=pyhd3eb1b0_2
- py =1.10.0=pyhd3eb1b0_0
- py-cpuinfo =8.0.0=pyhd3eb1b0_0
- py3dmol =1.8.0=pypi_0
- pyasn1 =0.4.8=py_0
- pyasn1-modules =0.2.8=py_0
- pycosat =0.6.3=py37h27cfd23_0
- pycparser =2.20=py_2
- pycppe =0.3.1=py37h38eed5b_1
- pydantic =1.8.2=py37h27cfd23_0
- pygments =2.11.2=pyhd3eb1b0_0
- pylibefp =0.6.1
- pyopenssl =20.0.1=pyhd3eb1b0_1
- pyparsing =2.4.7=pyhd3eb1b0_0
- pyqt =5.9.2=py37h05f1152_2
- pyrsistent =0.18.1=pypi_0
- pysocks =1.7.1=py37_1
- pytest =7.4.2=pyhd8ed1ab_0
- python =3.7.11=h12debd9_0
- python-dateutil =2.8.2=pyhd3eb1b0_0
- python_abi =3.7=2_cp37m
- pytz =2021.1=pyhd3eb1b0_0
- pyyaml =5.4.1=py37h27cfd23_1
- pyzmq =22.3.0=py37h295c915_2
- qcelemental =0.21.0=pyhd8ed1ab_0
- qcengine =0.19.0=pyhd8ed1ab_0
- qt =5.9.7=h5867ecd_1
- rdkit =2022.9.4=pypi_0
- rdkit-pypi =2022.3.2=pypi_0
- readline =8.2=h8228510_1
- requests =2.25.1=pyhd3eb1b0_0
- requests-oauthlib =1.3.1=pypi_0
- resp =1.0=pyh31278eb_0
- rsa =4.7.2=pyhd3eb1b0_1
- ruamel_yaml =0.15.100=py37h27cfd23_0
- scikit-learn =1.0.2=pypi_0
- scipy =1.7.3=py37hf2a6cf1_0
- seaborn =0.12.2=pypi_0
- send2trash =1.8.0=pypi_0
- setuptools =62.1.0=pypi_0
- simint =0.7=h642920c_1
- simple-dftd3 =0.7.0=heafb486_2
- sip =4.19.8=py37hf484d3e_0
- six =1.16.0=pyhd3eb1b0_0
- skunk =1.2.0=pypi_0
- sniffio =1.2.0=pypi_0
- snsmp2 =1.0.4=pyh0d22f2f_1
- sortedcontainers =2.4.0=pyhd3eb1b0_0
- soupsieve =2.3.2.post1=pypi_0
- sqlite =3.43.0=h2c6b66d_0
- sympy =1.8=py37h06a4308_0
- sysroot_linux-64 =2.12=he073ed8_16
- tables =3.7.0=pypi_0
- tabulate =0.8.9=pypi_0
- tblite =0.3.0=h03160e7_0
- tensorboard =1.13.1=pypi_0
- tensorboard-data-server =0.6.1=pypi_0
- tensorboard-plugin-wit =1.8.1=pypi_0
- tensorflow =1.13.1=pypi_0
- tensorflow-estimator =1.13.0=pypi_0
- tensorflow-gpu =2.9.0rc1=pypi_0
- tensorflow-io-gcs-filesystem =0.25.0=pypi_0
- tensorflow-probability =0.16.0=pypi_0
- termcolor =1.1.0=pypi_0
- terminado =0.13.3=pypi_0
- threadpoolctl =3.1.0=pypi_0
- tinycss2 =1.1.1=pypi_0
- tk =8.6.13=h2797004_0
- toml =0.10.2=pyhd3eb1b0_0
- toml-f =0.3.1=h74f4db8_0
- tomli =2.0.1=pyhd8ed1ab_0
- tomlkit =0.10.2=pypi_0
- toolz =0.12.0=pyhd8ed1ab_0
- tornado =6.1=py37h27cfd23_0
- tqdm =4.62.0=pyhd3eb1b0_1
- traitlets =5.1.1=pyhd3eb1b0_0
- typing-extensions =3.10.0.0=hd3eb1b0_0
- typing_extensions =3.10.0.0=pyh06a4308_0
- urllib3 =1.26.6=pyhd3eb1b0_1
- v2rdm_casscf =0.9=py37h60ce660_8
- wcwidth =0.2.5=pyhd3eb1b0_0
- webencodings =0.5.1=pypi_0
- websocket-client =1.3.2=pypi_0
- werkzeug =2.1.2=pypi_0
- wheel =0.36.2=pyhd3eb1b0_0
- widgetsnbextension =3.6.0=pypi_0
- wrapt =1.14.1=pypi_0
- xorg-libxau =1.0.11=hd590300_0
- xorg-libxdmcp =1.1.3=h7f98852_0
- xtb =6.6.1=hf49bc11_0
- xz =5.2.6=h166bdaf_0
- yaml =0.2.5=h7f98852_2
- yarl =1.6.3=py37h27cfd23_0
- zeromq =4.3.4=h9c3ff4c_1
- zipp =3.5.0=pyhd3eb1b0_0
- zlib =1.2.13=hd590300_5
- zstd =1.4.9=ha95c52a_0