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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,228 @@ | ||
| name: pdmodels | ||
| channels: | ||
| - https://USERNAME:[email protected] | ||
| - conda-forge | ||
| - defaults | ||
| - https://repo.anaconda.com/pkgs/main | ||
| - https://repo.anaconda.com/pkgs/r | ||
| dependencies: | ||
| - _libgcc_mutex=0.1=conda_forge | ||
| - _openmp_mutex=4.5=2_gnu | ||
| - anyio=4.6.2.post1=pyhd8ed1ab_0 | ||
| - argon2-cffi=23.1.0=pyhd8ed1ab_0 | ||
| - argon2-cffi-bindings=21.2.0=py311h9ecbd09_5 | ||
| - arrow=1.3.0=pyhd8ed1ab_0 | ||
| - asttokens=2.4.1=pyhd8ed1ab_0 | ||
| - async-lru=2.0.4=pyhd8ed1ab_0 | ||
| - attrs=24.2.0=pyh71513ae_0 | ||
| - babel=2.16.0=pyhd8ed1ab_0 | ||
| - beautifulsoup4=4.12.3=pyha770c72_0 | ||
| - bleach=6.2.0=pyhd8ed1ab_0 | ||
| - brotli-python=1.1.0=py311hfdbb021_2 | ||
| - bzip2=1.0.8=h4bc722e_7 | ||
| - ca-certificates=2024.8.30=hbcca054_0 | ||
| - cached-property=1.5.2=hd8ed1ab_1 | ||
| - cached_property=1.5.2=pyha770c72_1 | ||
| - certifi=2024.8.30=pyhd8ed1ab_0 | ||
| - cffi=1.17.1=py311hf29c0ef_0 | ||
| - comm=0.2.2=pyhd8ed1ab_0 | ||
| - debugpy=1.8.6=py311hfdbb021_0 | ||
| - decorator=5.1.1=pyhd8ed1ab_0 | ||
| - defusedxml=0.7.1=pyhd8ed1ab_0 | ||
| - entrypoints=0.4=pyhd8ed1ab_0 | ||
| - exceptiongroup=1.2.2=pyhd8ed1ab_0 | ||
| - executing=2.1.0=pyhd8ed1ab_0 | ||
| - fqdn=1.5.1=pyhd8ed1ab_0 | ||
| - h11=0.14.0=pyhd8ed1ab_0 | ||
| - h2=4.1.0=pyhd8ed1ab_0 | ||
| - hpack=4.0.0=pyh9f0ad1d_0 | ||
| - httpcore=1.0.6=pyhd8ed1ab_0 | ||
| - httpx=0.27.2=pyhd8ed1ab_0 | ||
| - hyperframe=6.0.1=pyhd8ed1ab_0 | ||
| - idna=3.10=pyhd8ed1ab_0 | ||
| - importlib-metadata=8.5.0=pyha770c72_0 | ||
| - importlib_resources=6.4.5=pyhd8ed1ab_0 | ||
| - ipykernel=6.29.5=pyh3099207_0 | ||
| - ipython=8.28.0=pyh707e725_0 | ||
| - ipywidgets=8.1.5=pyhd8ed1ab_0 | ||
| - isoduration=20.11.0=pyhd8ed1ab_0 | ||
| - jedi=0.19.1=pyhd8ed1ab_0 | ||
| - json5=0.9.28=pyhff2d567_0 | ||
| - jsonpointer=3.0.0=py311h38be061_1 | ||
| - jsonschema=4.23.0=pyhd8ed1ab_0 | ||
| - jsonschema-specifications=2024.10.1=pyhd8ed1ab_0 | ||
| - jsonschema-with-format-nongpl=4.23.0=hd8ed1ab_0 | ||
| - jupyter=1.1.1=pyhd8ed1ab_0 | ||
| - jupyter-lsp=2.2.5=pyhd8ed1ab_0 | ||
| - jupyter_client=8.6.3=pyhd8ed1ab_0 | ||
| - jupyter_console=6.6.3=pyhd8ed1ab_0 | ||
| - jupyter_core=5.7.2=pyh31011fe_1 | ||
| - jupyter_events=0.10.0=pyhd8ed1ab_0 | ||
| - jupyter_server=2.14.2=pyhd8ed1ab_0 | ||
| - jupyter_server_terminals=0.5.3=pyhd8ed1ab_0 | ||
| - jupyterlab=4.3.0=pyhd8ed1ab_0 | ||
| - jupyterlab_pygments=0.3.0=pyhd8ed1ab_1 | ||
| - jupyterlab_server=2.27.3=pyhd8ed1ab_0 | ||
| - jupyterlab_widgets=3.0.13=pyhd8ed1ab_0 | ||
| - keyutils=1.6.1=h166bdaf_0 | ||
| - krb5=1.21.3=h659f571_0 | ||
| - ld_impl_linux-64=2.43=h712a8e2_1 | ||
| - libedit=3.1.20191231=he28a2e2_2 | ||
| - libexpat=2.6.3=h5888daf_0 | ||
| - libffi=3.4.2=h7f98852_5 | ||
| - libgcc=14.1.0=h77fa898_1 | ||
| - libgcc-ng=14.1.0=h69a702a_1 | ||
| - libgomp=14.1.0=h77fa898_1 | ||
| - libnsl=2.0.1=hd590300_0 | ||
| - libsodium=1.0.20=h4ab18f5_0 | ||
| - libsqlite=3.46.1=hadc24fc_0 | ||
| - libstdcxx=14.1.0=hc0a3c3a_1 | ||
| - libstdcxx-ng=14.1.0=h4852527_1 | ||
| - libuuid=2.38.1=h0b41bf4_0 | ||
| - libxcrypt=4.4.36=hd590300_1 | ||
| - libzlib=1.3.1=hb9d3cd8_2 | ||
| - matplotlib-inline=0.1.7=pyhd8ed1ab_0 | ||
| - mistune=3.0.2=pyhd8ed1ab_0 | ||
| - nbclient=0.10.0=pyhd8ed1ab_0 | ||
| - nbconvert-core=7.16.4=pyhd8ed1ab_1 | ||
| - nbformat=5.10.4=pyhd8ed1ab_0 | ||
| - ncurses=6.5=he02047a_1 | ||
| - nest-asyncio=1.6.0=pyhd8ed1ab_0 | ||
| - notebook=7.0.6=py311h06a4308_0 | ||
| - notebook-shim=0.2.4=pyhd8ed1ab_0 | ||
| - openssl=3.4.0=hb9d3cd8_0 | ||
| - overrides=7.7.0=pyhd8ed1ab_0 | ||
| - packaging=24.1=pyhd8ed1ab_0 | ||
| - pandocfilters=1.5.0=pyhd8ed1ab_0 | ||
| - parso=0.8.4=pyhd8ed1ab_0 | ||
| - pexpect=4.9.0=pyhd8ed1ab_0 | ||
| - pickleshare=0.7.5=py_1003 | ||
| - pip=24.2=pyh8b19718_1 | ||
| - pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1 | ||
| - platformdirs=4.3.6=pyhd8ed1ab_0 | ||
| - prometheus_client=0.21.0=pyhd8ed1ab_0 | ||
| - prompt-toolkit=3.0.48=pyha770c72_0 | ||
| - prompt_toolkit=3.0.48=hd8ed1ab_0 | ||
| - psutil=6.0.0=py311h9ecbd09_1 | ||
| - ptyprocess=0.7.0=pyhd3deb0d_0 | ||
| - pure_eval=0.2.3=pyhd8ed1ab_0 | ||
| - py3dmol=2.4.0=pyhd8ed1ab_0 | ||
| - pycparser=2.22=pyhd8ed1ab_0 | ||
| - pygments=2.18.0=pyhd8ed1ab_0 | ||
| - pysocks=1.7.1=pyha2e5f31_6 | ||
| - python=3.11.10=hc5c86c4_2_cpython | ||
| - python-dateutil=2.9.0=pyhd8ed1ab_0 | ||
| - python-fastjsonschema=2.20.0=pyhd8ed1ab_0 | ||
| - python-json-logger=2.0.7=pyhd8ed1ab_0 | ||
| - python_abi=3.11=5_cp311 | ||
| - pytz=2024.2=pyhd8ed1ab_0 | ||
| - pyyaml=6.0.2=py311h9ecbd09_1 | ||
| - pyzmq=26.2.0=py311h7deb3e3_2 | ||
| - readline=8.2=h8228510_1 | ||
| - referencing=0.35.1=pyhd8ed1ab_0 | ||
| - requests=2.32.3=pyhd8ed1ab_0 | ||
| - rfc3339-validator=0.1.4=pyhd8ed1ab_0 | ||
| - rfc3986-validator=0.1.1=pyh9f0ad1d_0 | ||
| - rpds-py=0.21.0=py311h9e33e62_0 | ||
| - send2trash=1.8.3=pyh0d859eb_0 | ||
| - setuptools=75.1.0=pyhd8ed1ab_0 | ||
| - six=1.16.0=pyh6c4a22f_0 | ||
| - sniffio=1.3.1=pyhd8ed1ab_0 | ||
| - soupsieve=2.5=pyhd8ed1ab_1 | ||
| - stack_data=0.6.2=pyhd8ed1ab_0 | ||
| - terminado=0.18.1=pyh0d859eb_0 | ||
| - tinycss2=1.4.0=pyhd8ed1ab_0 | ||
| - tk=8.6.13=noxft_h4845f30_101 | ||
| - tomli=2.0.2=pyhd8ed1ab_0 | ||
| - tornado=6.4.1=py311h9ecbd09_1 | ||
| - traitlets=5.14.3=pyhd8ed1ab_0 | ||
| - types-python-dateutil=2.9.0.20241003=pyhff2d567_0 | ||
| - typing_extensions=4.12.2=pyha770c72_0 | ||
| - typing_utils=0.1.0=pyhd8ed1ab_0 | ||
| - uri-template=1.3.0=pyhd8ed1ab_0 | ||
| - urllib3=2.2.3=pyhd8ed1ab_0 | ||
| - wcwidth=0.2.13=pyhd8ed1ab_0 | ||
| - webcolors=24.8.0=pyhd8ed1ab_0 | ||
| - webencodings=0.5.1=pyhd8ed1ab_2 | ||
| - websocket-client=1.8.0=pyhd8ed1ab_0 | ||
| - wheel=0.44.0=pyhd8ed1ab_0 | ||
| - widgetsnbextension=4.0.13=pyhd8ed1ab_0 | ||
| - xz=5.2.6=h166bdaf_0 | ||
| - yaml=0.2.5=h7f98852_2 | ||
| - zeromq=4.3.5=ha4adb4c_5 | ||
| - zipp=3.20.2=pyhd8ed1ab_0 | ||
| - zstandard=0.23.0=py311hbc35293_1 | ||
| - zstd=1.5.6=ha6fb4c9_0 | ||
| - pip: | ||
| - aiohappyeyeballs==2.4.3 | ||
| - aiohttp==3.10.9 | ||
| - aiosignal==1.3.1 | ||
| - biopython==1.79 | ||
| - biotite==0.41.2 | ||
| - biotraj==1.2.1 | ||
| - charset-normalizer==3.3.2 | ||
| - contourpy==1.3.0 | ||
| - cycler==0.12.1 | ||
| - fair-esm==2.0.1 | ||
| - filelock==3.13.1 | ||
| - fonttools==4.54.1 | ||
| - frozenlist==1.4.1 | ||
| - fsspec==2024.2.0 | ||
| - huggingface-hub==0.26.2 | ||
| - jinja2==3.1.3 | ||
| - kiwisolver==1.4.7 | ||
| - markupsafe==2.1.5 | ||
| - matplotlib==3.9.2 | ||
| - mpmath==1.3.0 | ||
| - msgpack==1.1.0 | ||
| - multidict==6.1.0 | ||
| - networkx==3.2.1 | ||
| - numpy==1.23.5 | ||
| - nvidia-cublas-cu11==11.11.3.6 | ||
| - nvidia-cublas-cu12==12.4.5.8 | ||
| - nvidia-cuda-cupti-cu11==11.8.87 | ||
| - nvidia-cuda-cupti-cu12==12.4.127 | ||
| - nvidia-cuda-nvrtc-cu11==11.8.89 | ||
| - nvidia-cuda-nvrtc-cu12==12.4.127 | ||
| - nvidia-cuda-runtime-cu11==11.8.89 | ||
| - nvidia-cuda-runtime-cu12==12.4.127 | ||
| - nvidia-cudnn-cu11==9.1.0.70 | ||
| - nvidia-cudnn-cu12==9.1.0.70 | ||
| - nvidia-cufft-cu11==10.9.0.58 | ||
| - nvidia-cufft-cu12==11.2.1.3 | ||
| - nvidia-curand-cu11==10.3.0.86 | ||
| - nvidia-curand-cu12==10.3.5.147 | ||
| - nvidia-cusolver-cu11==11.4.1.48 | ||
| - nvidia-cusolver-cu12==11.6.1.9 | ||
| - nvidia-cusparse-cu11==11.7.5.86 | ||
| - nvidia-cusparse-cu12==12.3.1.170 | ||
| - nvidia-nccl-cu11==2.20.5 | ||
| - nvidia-nccl-cu12==2.21.5 | ||
| - nvidia-nvjitlink-cu12==12.4.127 | ||
| - nvidia-nvtx-cu11==11.8.86 | ||
| - nvidia-nvtx-cu12==12.4.127 | ||
| - pandas==2.2.3 | ||
| - pillow==10.2.0 | ||
| - prody==2.4.1 | ||
| - pyg-lib==0.4.0+pt24cu124 | ||
| - pyparsing==3.1.4 | ||
| - regex==2024.9.11 | ||
| - safetensors==0.4.5 | ||
| - scipy==1.14.1 | ||
| - sympy==1.13.1 | ||
| - tokenizers==0.20.1 | ||
| - torch==2.5.1 | ||
| - torch-cluster==1.6.3+pt24cu124 | ||
| - torch-geometric==2.6.1 | ||
| - torch-scatter==2.1.2+pt24cu124 | ||
| - torch-sparse==0.6.18+pt24cu124 | ||
| - torch-spline-conv==1.2.2+pt24cu124 | ||
| - torchaudio==2.5.1 | ||
| - torchvision==0.20.1 | ||
| - tqdm==4.67.0 | ||
| - transformers==4.46.1 | ||
| - triton==3.1.0 | ||
| - typing-extensions==4.9.0 | ||
| - tzdata==2024.2 | ||
| - yarl==1.13.1 | ||
| prefix: /home/tinglab/miniconda3/envs/pdmodels |
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