| aiohappyeyeballs==2.6.1 | |
| aiohttp==3.12.14 | |
| aiosignal==1.4.0 | |
| alembic==1.16.4 | |
| annotated-types==0.7.0 | |
| anyio==4.9.0 | |
| appdirs==1.4.4 | |
| appnope==0.1.4 | |
| argon2-cffi==25.1.0 | |
| argon2-cffi-bindings==21.2.0 | |
| arrow==1.3.0 | |
| ase==3.25.0 | |
| asttokens==3.0.0 | |
| async-lru==2.0.5 | |
| attrs==25.3.0 | |
| babel==2.17.0 | |
| beautifulsoup4==4.13.4 | |
| bibtexparser==1.4.3 | |
| biopandas==0.5.1 | |
| biopython==1.85 | |
| bioservices==1.12.1 | |
| bleach==6.2.0 | |
| botorch==0.14.0 | |
| cattrs==25.1.1 | |
| certifi==2025.7.14 | |
| cffi==1.17.1 | |
| charset-normalizer==3.4.2 | |
| click==8.2.1 | |
| colorama==0.4.6 | |
| colorlog==6.9.0 | |
| comm==0.2.2 | |
| contourpy==1.3.2 | |
| cpdb-protein==0.2.0 | |
| cycler==0.12.1 | |
| Cython==3.1.2 | |
| debugpy==1.8.15 | |
| decorator==5.2.1 | |
| deepdiff==8.5.0 | |
| defusedxml==0.7.1 | |
| dftd3==1.2.1 | |
| dill==0.4.0 | |
| easydev==0.13.3 | |
| executing==2.2.0 | |
| fastjsonschema==2.21.1 | |
| filelock==3.18.0 | |
| fonttools==4.59.0 | |
| fqdn==1.5.1 | |
| frozenlist==1.7.0 | |
| fsspec==2025.7.0 | |
| future==1.0.0 | |
| gauche==0.1.6 | |
| geometric==1.1 | |
| gevent==25.5.1 | |
| git-lfs==1.6 | |
| gitdb==4.0.12 | |
| GitPython==3.1.45 | |
| gpytorch==1.14 | |
| GraKeL==0.1.10 | |
| graphein==1.7.7 | |
| greenlet==3.2.3 | |
| grequests==0.7.0 | |
| gudhi==3.11.0 | |
| h11==0.16.0 | |
| h5py==3.14.0 | |
| httpcore==1.0.9 | |
| httpx==0.28.1 | |
| idna==3.10 | |
| ipykernel==6.30.0 | |
| ipython==9.4.0 | |
| ipython_pygments_lexers==1.1.1 | |
| isoduration==20.11.0 | |
| jax==0.7.0 | |
| jaxlib==0.7.0 | |
| jaxtyping==0.3.2 | |
| jedi==0.19.2 | |
| Jinja2==3.1.6 | |
| joblib==1.5.1 | |
| json5==0.12.0 | |
| jsonpointer==3.0.0 | |
| jsonschema==4.25.0 | |
| jsonschema-specifications==2025.4.1 | |
| jupyter-events==0.12.0 | |
| jupyter-lsp==2.2.6 | |
| jupyter_client==8.6.3 | |
| jupyter_core==5.8.1 | |
| jupyter_server==2.16.0 | |
| jupyter_server_terminals==0.5.3 | |
| jupyterlab==4.4.5 | |
| jupyterlab_pygments==0.3.0 | |
| jupyterlab_server==2.27.3 | |
| kiwisolver==1.4.8 | |
| lark==1.2.2 | |
| line_profiler==4.2.0 | |
| linear-operator==0.6 | |
| loguru==0.7.3 | |
| looseversion==1.1.2 | |
| lxml==5.4.0 | |
| Mako==1.3.10 | |
| markdown-it-py==3.0.0 | |
| MarkupSafe==3.0.2 | |
| matplotlib==3.10.3 | |
| matplotlib-inline==0.1.7 | |
| mdurl==0.1.2 | |
| mistune==3.1.3 | |
| ml_dtypes==0.5.1 | |
| mmtf-python==1.1.3 | |
| monty==2025.3.3 | |
| mpmath==1.3.0 | |
| msgpack==1.1.1 | |
| multidict==6.6.3 | |
| multipledispatch==1.0.0 | |
| mypy_extensions==1.1.0 | |
| narwhals==1.48.0 | |
| nbclient==0.10.2 | |
| nbconvert==7.16.6 | |
| nbformat==5.10.4 | |
| nest-asyncio==1.6.0 | |
| networkx==3.5 | |
| notebook_shim==0.2.4 | |
| numpy==1.26.4 | |
| opt_einsum==3.4.0 | |
| optuna==4.4.0 | |
| orderly-set==5.5.0 | |
| orjson==3.11.0 | |
| overrides==7.7.0 | |
| packaging==25.0 | |
| palettable==3.3.3 | |
| pandas==2.3.1 | |
| pandocfilters==1.5.1 | |
| parso==0.8.4 | |
| patsy==1.0.1 | |
| periodictable==2.0.2 | |
| pexpect==4.9.0 | |
| pillow==11.3.0 | |
| platformdirs==4.3.8 | |
| plotly==6.2.0 | |
| polyatomic_complexes==1.0.8 | |
| prometheus_client==0.22.1 | |
| prompt_toolkit==3.0.51 | |
| propcache==0.3.2 | |
| protobuf==6.31.1 | |
| psutil==7.0.0 | |
| ptyprocess==0.7.0 | |
| pure_eval==0.2.3 | |
| pyarrow==21.0.0 | |
| pycparser==2.22 | |
| pydantic==2.11.7 | |
| pydantic_core==2.33.2 | |
| Pygments==2.19.2 | |
| pymatgen==2025.6.14 | |
| pyparsing==3.2.3 | |
| pyre-extensions==0.0.32 | |
| pyro-api==0.1.2 | |
| pyro-ppl==1.9.1 | |
| pyscf==2.10.0 | |
| python-dateutil==2.9.0.post0 | |
| python-json-logger==3.3.0 | |
| pytz==2025.2 | |
| PyYAML==6.0.2 | |
| pyzmq==27.0.0 | |
| rdkit==2025.3.3 | |
| referencing==0.36.2 | |
| requests==2.32.4 | |
| requests-cache==1.2.1 | |
| rfc3339-validator==0.1.4 | |
| rfc3986-validator==0.1.1 | |
| rfc3987-syntax==1.1.0 | |
| rich==14.0.0 | |
| rich-click==1.8.9 | |
| rpds-py==0.26.0 | |
| ruamel.yaml==0.18.14 | |
| ruamel.yaml.clib==0.2.12 | |
| scikit-learn==1.7.1 | |
| scipy==1.16.0 | |
| seaborn==0.13.2 | |
| selfies==2.2.0 | |
| Send2Trash==1.8.3 | |
| sentry-sdk==2.33.2 | |
| setuptools==80.9.0 | |
| six==1.17.0 | |
| smmap==5.0.2 | |
| sniffio==1.3.1 | |
| soupsieve==2.7 | |
| spglib==2.6.0 | |
| SQLAlchemy==2.0.42 | |
| stack-data==0.6.3 | |
| statsmodels==0.14.5 | |
| suds-community==1.2.0 | |
| sympy==1.14.0 | |
| tabulate==0.9.0 | |
| terminado==0.18.1 | |
| threadpoolctl==3.6.0 | |
| tinycss2==1.4.0 | |
| TopoNetX==0.2.0 | |
| torch==2.7.1 | |
| torch-geometric==2.6.1 | |
| tornado==6.5.1 | |
| tqdm==4.67.1 | |
| traitlets==5.14.3 | |
| trimesh==4.7.1 | |
| types-python-dateutil==2.9.0.20250708 | |
| typing-inspect==0.9.0 | |
| typing-inspection==0.4.1 | |
| typing_extensions==4.14.1 | |
| tzdata==2025.2 | |
| uncertainties==3.2.3 | |
| uri-template==1.3.0 | |
| url-normalize==2.2.1 | |
| urllib3==2.5.0 | |
| wadler_lindig==0.1.7 | |
| wandb==0.21.0 | |
| wcwidth==0.2.13 | |
| webcolors==24.11.1 | |
| webencodings==0.5.1 | |
| websocket-client==1.8.0 | |
| wget==3.2 | |
| wrapt==1.17.2 | |
| xarray==2025.7.1 | |
| xmltodict==0.14.2 | |
| yarl==1.20.1 | |
| zope.event==5.1.1 | |
| zope.interface==7.2 | |