name: mlip-arena
channels:
  - defaults
  - conda-forge
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - bzip2=1.0.8=h5eee18b_5
  - ca-certificates=2024.3.11=h06a4308_0
  - ld_impl_linux-64=2.38=h1181459_1
  - libffi=3.4.4=h6a678d5_0
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - libuuid=1.41.5=h5eee18b_0
  - ncurses=6.4=h6a678d5_0
  - openssl=3.0.13=h7f8727e_0
  - python=3.11.8=h955ad1f_0
  - readline=8.2=h5eee18b_0
  - setuptools=68.2.2=py311h06a4308_0
  - sqlite=3.41.2=h5eee18b_0
  - tk=8.6.12=h1ccaba5_0
  - wheel=0.41.2=py311h06a4308_0
  - xz=5.4.6=h5eee18b_0
  - zlib=1.2.13=h5eee18b_0
  - pip:
      - absl-py==2.1.0
      - aiofiles==23.2.1
      - aiohttp==3.9.3
      - aioitertools==0.11.0
      - aiosignal==1.3.1
      - aiosqlite==0.20.0
      - alabaster==0.7.16
      - alembic==1.13.1
      - alignn==2024.5.27
      - altair==5.3.0
      - annotated-types==0.6.0
      - anyio==3.7.1
      - appdirs==1.4.4
      - apprise==1.7.5
      - argon2-cffi==23.1.0
      - argon2-cffi-bindings==21.2.0
      - arrow==1.3.0
      - ase==3.23.0
      - asgi-lifespan==2.1.0
      - asttokens==2.4.1
      - async-lru==2.0.4
      - async-timeout==4.0.3
      - asyncpg==0.29.0
      - atomate2==0.0.14.post30+g256b39a1
      - attrs==23.2.0
      - autograd==1.5
      - autopep8==2.3.1
      - autoray==0.6.9
      - babel==2.15.0
      - bcrypt==4.1.2
      - beautifulsoup4==4.12.3
      - bidict==0.23.1
      - bleach==6.1.0
      - blinker==1.7.0
      - blosc2==2.7.0
      - bokeh==2.4.3
      - bokeh-sampledata==2024.2
      - boto3==1.34.74
      - botocore==1.34.74
      - braceexpand==0.1.7
      - cached-path==1.6.3
      - cachetools==5.3.3
      - certifi==2024.8.30
      - cffi==1.16.0
      - charset-normalizer==3.3.2
      - chgnet==0.4.0
      - click==8.1.7
      - cloudpickle==3.0.0
      - colorama==0.4.6
      - comm==0.2.2
      - contourpy==1.2.0
      - coolname==2.2.0
      - covalent==0.232.0.post1
      - croniter==2.0.3
      - cryptography==42.0.5
      - custodian==2024.3.12
      - cycler==0.12.1
      - cython==3.0.10
      - dask==2024.3.1
      - dask-jobqueue==0.8.5
      - datasets==2.21.0
      - dateparser==1.2.0
      - debugpy==1.8.1
      - decorator==5.1.1
      - defusedxml==0.7.1
      - deprecation==2.1.0
      - dgl==2.4.0+cu121
      - dglgo==0.0.2
      - dill==0.3.8
      - distributed==2024.3.1
      - dm-tree==0.1.8
      - dnspython==2.6.1
      - docker==6.1.3
      - docker-pycreds==0.4.0
      - docutils==0.21.2
      - e3nn==0.5.1
      - email-validator==2.1.1
      - emmet-core==0.82.1
      - executing==2.0.1
      - fairchem-core==1.0.0
      - fastapi==0.110.0
      - fastjsonschema==2.20.0
      - filelock==3.16.1
      - fireworks==2.0.3
      - flake8==7.1.0
      - flask==3.0.2
      - flask-paginate==2024.3.28
      - fonttools==4.50.0
      - fqdn==1.5.1
      - frozenlist==1.4.1
      - fsspec==2024.9.0
      - furl==2.1.3
      - future==1.0.0
      - gitdb==4.0.11
      - gitpython==3.1.43
      - google-api-core==2.19.2
      - google-auth==2.29.0
      - google-cloud-core==2.4.1
      - google-cloud-storage==2.18.2
      - google-crc32c==1.6.0
      - google-resumable-media==2.7.2
      - googleapis-common-protos==1.65.0
      - gpaw==24.7.0b1
      - greenlet==3.0.3
      - griffe==0.42.1
      - grpcio==1.64.1
      - gunicorn==21.2.0
      - h11==0.14.0
      - h2==4.1.0
      - h5py==3.10.0
      - hpack==4.0.0
      - httpcore==1.0.5
      - httptools==0.6.1
      - httpx==0.27.0
      - huggingface-hub==0.22.2
      - hyperframe==6.0.1
      - icalendar==5.0.13
      - idna==3.10
      - imagesize==1.4.1
      - importlib-metadata==7.1.0
      - importlib-resources==6.1.3
      - inflect==7.3.1
      - ipykernel==6.29.4
      - ipyspeck==0.6.1
      - ipython==8.22.2
      - ipywidgets==8.1.3
      - isoduration==20.11.0
      - isort==5.13.2
      - itsdangerous==2.1.2
      - jarvis-tools==2024.5.10
      - jedi==0.19.1
      - jinja2==3.1.4
      - jmespath==1.0.1
      - jobflow==0.1.17
      - joblib==1.3.2
      - json5==0.9.25
      - jsonpatch==1.33
      - jsonpointer==2.4
      - jsonschema==4.21.1
      - jsonschema-specifications==2023.12.1
      - jupyter-client==8.6.1
      - jupyter-core==5.7.2
      - jupyter-events==0.10.0
      - jupyter-lsp==2.2.5
      - jupyter-packaging==0.12.3
      - jupyter-server==2.14.2
      - jupyter-server-terminals==0.5.3
      - jupyterlab==4.2.3
      - jupyterlab-pygments==0.3.0
      - jupyterlab-server==2.27.2
      - jupyterlab-widgets==3.0.11
      - kaleido==0.2.1
      - kiwisolver==1.4.5
      - kubernetes==29.0.0
      - latexcodec==3.0.0
      - lightning==2.3.3
      - lightning-utilities==0.11.2
      - littleutils==0.2.4
      - llvmlite==0.42.0
      - lmdb==1.4.1
      - lmdbm==0.0.5
      - locket==1.0.0
      - looseversion==1.3.0
      - mace-torch==0.3.4
      - maggma==0.64.0
      - mako==1.3.2
      - markdown==3.6
      - markdown-it-py==2.2.0
      - markupsafe==2.1.5
      - matgl==1.1.2
      - matplotlib==3.8.3
      - matplotlib-inline==0.1.6
      - matscipy==1.0.0
      - mccabe==0.7.0
      - mdurl==0.1.2
      - mistune==3.0.2
      - mlip-arena==0.0.1a0
      - mongogrant==0.3.3
      - mongomock==4.1.2
      - monty==2024.7.30
      - more-itertools==10.3.0
      - mp-api==0.41.2
      - mpire==2.10.1
      - mpmath==1.3.0
      - msgpack==1.0.8
      - multidict==6.0.5
      - multiprocess==0.70.16
      - natsort==8.4.0
      - nbclient==0.10.0
      - nbconvert==7.16.4
      - nbformat==5.10.4
      - ndindex==1.8
      - nest-asyncio==1.6.0
      - networkx==3.3
      - notebook==7.2.1
      - notebook-shim==0.2.4
      - numba==0.59.1
      - numexpr==2.10.1
      - numpy==1.26.4
      - numpydoc==1.7.0
      - nvidia-cublas-cu12==12.1.3.1
      - nvidia-cuda-cupti-cu12==12.1.105
      - nvidia-cuda-nvrtc-cu12==12.1.105
      - nvidia-cuda-runtime-cu12==12.1.105
      - nvidia-cudnn-cu12==8.9.2.26
      - nvidia-cufft-cu12==11.0.2.54
      - nvidia-curand-cu12==10.3.2.106
      - nvidia-cusolver-cu12==11.4.5.107
      - nvidia-cusparse-cu12==12.1.0.106
      - nvidia-ml-py3==7.352.0
      - nvidia-nccl-cu12==2.20.5
      - nvidia-nvjitlink-cu12==12.6.68
      - nvidia-nvtx-cu12==12.1.105
      - oauthlib==3.2.2
      - ogb==1.3.6
      - opt-einsum==3.3.0
      - opt-einsum-fx==0.1.4
      - orb-models==0.3.1
      - orderedmultidict==1.0.1
      - orjson==3.10.0
      - outdated==0.2.2
      - overrides==7.7.0
      - packaging==24.0
      - palettable==3.3.3
      - pandas==2.2.2
      - pandocfilters==1.5.1
      - paramiko==3.4.0
      - parso==0.8.3
      - partd==1.4.1
      - pathspec==0.12.1
      - patsy==0.5.6
      - pendulum==2.1.2
      - pennylane==0.32.0
      - pennylane-lightning==0.33.1
      - pexpect==4.9.0
      - pillow==10.2.0
      - pip==24.2
      - platformdirs==4.2.0
      - plotly==5.20.0
      - plumed==2.9.0
      - prefect==2.16.8
      - prefect-dask==0.2.6
      - prettytable==3.10.0
      - prometheus-client==0.20.0
      - prompt-toolkit==3.0.43
      - proto-plus==1.24.0
      - protobuf==4.25.3
      - psutil==6.0.0
      - ptyprocess==0.7.0
      - pure-eval==0.2.2
      - py-cpuinfo==9.0.0
      - py3dmol==2.0.0.post2
      - pyarrow==16.1.0
      - pyasn1==0.6.0
      - pyasn1-modules==0.4.0
      - pybtex==0.24.0
      - pycodestyle==2.12.0
      - pycparser==2.22
      - pydantic==2.6.4
      - pydantic-core==2.16.3
      - pydantic-settings==2.2.1
      - pydash==8.0.0
      - pydeck==0.9.1
      - pydocstyle==6.3.0
      - pyflakes==3.2.0
      - pygments==2.17.2
      - pymatgen==2024.9.17.1
      - pymongo==4.6.3
      - pynacl==1.5.0
      - pynanoflann==0.0.9
      - pyparsing==2.4.7
      - python-dateutil==2.9.0.post0
      - python-dotenv==1.0.1
      - python-engineio==4.9.0
      - python-graphviz==0.20.3
      - python-hostlist==1.23.0
      - python-json-logger==2.0.7
      - python-multipart==0.0.9
      - python-slugify==8.0.4
      - python-socketio==5.11.2
      - pytorch-lightning==2.2.1
      - pytz==2024.1
      - pytzdata==2020.1
      - pyyaml==6.0.1
      - pyzmq==25.1.2
      - rdkit-pypi==2022.9.5
      - readchar==4.0.6
      - referencing==0.34.0
      - regex==2023.12.25
      - requests==2.32.3
      - requests-oauthlib==2.0.0
      - rfc3339-validator==0.1.4
      - rfc3986-validator==0.1.1
      - rich==13.3.5
      - rpds-py==0.18.0
      - rsa==4.9
      - ruamel-yaml==0.17.40
      - ruamel-yaml-clib==0.2.8
      - rustworkx==0.14.2
      - s3transfer==0.10.1
      - safetensors==0.4.2
      - scikit-learn==1.5.2
      - scipy==1.14.1
      - semantic-version==2.10.0
      - send2trash==1.8.3
      - sentinels==1.0.0
      - sentry-sdk==2.7.1
      - setproctitle==1.3.3
      - sevenn==0.9.3.post1
      - shellingham==1.5.4
      - simple-websocket==1.0.0
      - simplejson==3.19.2
      - six==1.16.0
      - smart-open==7.0.4
      - smmap==5.0.1
      - sniffio==1.3.1
      - snowballstemmer==2.2.0
      - sortedcontainers==2.4.0
      - soupsieve==2.5
      - spglib==2.5.0
      - sphinx==7.4.7
      - sphinxcontrib-applehelp==1.0.8
      - sphinxcontrib-devhelp==1.0.6
      - sphinxcontrib-htmlhelp==2.0.6
      - sphinxcontrib-jsmath==1.0.1
      - sphinxcontrib-qthelp==1.0.8
      - sphinxcontrib-serializinghtml==1.1.10
      - sqlalchemy==1.4.52
      - sqlalchemy-utils==0.41.2
      - sshtunnel==0.4.0
      - stack-data==0.6.3
      - starlette==0.36.3
      - statsmodels==0.14.2
      - stmol==0.0.9
      - streamlit==1.36.0
      - submitit==1.5.1
      - sympy==1.13.3
      - tables==3.9.2
      - tabulate==0.9.0
      - tblib==3.0.0
      - tenacity==8.2.3
      - tensorboard==2.17.0
      - tensorboard-data-server==0.7.2
      - terminado==0.18.1
      - text-unidecode==1.3
      - threadpoolctl==3.4.0
      - tinycss2==1.3.0
      - toml==0.10.2
      - tomlkit==0.13.0
      - toolz==0.12.1
      - torch==2.3.1
      - torch-dftd==0.4.0
      - torch-ema==0.3
      - torch-geometric==2.5.2
      - torch-scatter==2.1.2+pt22cu121
      - torch-sparse==0.6.18+pt22cu121
      - torchdata==0.8.0
      - torchmetrics==1.3.2
      - tornado==6.4
      - tqdm==4.66.5
      - trainstation==1.0
      - traitlets==5.14.2
      - triton==2.3.1
      - typeguard==4.3.0
      - typer==0.12.0
      - typer-cli==0.12.0
      - typer-slim==0.12.0
      - types-python-dateutil==2.9.0.20240316
      - typing-extensions==4.12.2
      - tzdata==2024.1
      - tzlocal==5.2
      - ujson==5.9.0
      - uncertainties==3.1.7
      - uri-template==1.3.0
      - urllib3==2.2.3
      - uvicorn==0.18.3
      - uvloop==0.19.0
      - wandb==0.17.4
      - watchdog==4.0.0
      - watchfiles==0.21.0
      - wcwidth==0.2.13
      - webcolors==24.6.0
      - webencodings==0.5.1
      - websocket-client==1.7.0
      - websockets==12.0
      - werkzeug==3.0.1
      - widgetsnbextension==4.0.11
      - wrapt==1.16.0
      - wsproto==1.2.0
      - xmltodict==0.13.0
      - xxhash==3.5.0
      - xyzservices==2024.6.0
      - yarl==1.9.4
      - zict==3.0.0
      - zipp==3.18.1