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Running
| 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 | |