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environment.yml
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name: tlacamr
channels:
- pyg
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- abseil-cpp=20211102.0=h27087fc_1
- aiobotocore=2.5.0=pyhd8ed1ab_0
- aiohttp=3.8.4=py310h1fa729e_0
- aioitertools=0.11.0=pyhd8ed1ab_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- antlr-python-runtime=4.9.3=pyhd8ed1ab_1
- appdirs=1.4.4=pyhd3eb1b0_0
- arrow-cpp=11.0.0=py310h7516544_0
- async-timeout=4.0.2=pyhd8ed1ab_0
- aws-c-common=0.4.57=he6710b0_1
- aws-c-event-stream=0.1.6=h2531618_5
- aws-checksums=0.1.9=he6710b0_0
- aws-sdk-cpp=1.8.185=hce553d0_0
- blas=1.0=mkl
- blinker=1.6.2=pyhd8ed1ab_0
- boost=1.74.0=py310h7c3ba0c_5
- boost-cpp=1.74.0=h75c5d50_8
- botocore=1.29.76=pyhd8ed1ab_0
- bottleneck=1.3.5=py310ha9d4c09_0
- brotlipy=0.7.0=py310h7f8727e_1002
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.19.1=hd590300_0
- ca-certificates=2023.5.7=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cachetools=5.3.0=pyhd8ed1ab_0
- cairo=1.16.0=hb05425b_3
- certifi=2023.5.7=pyhd8ed1ab_0
- cffi=1.15.1=py310h5eee18b_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.1.3=unix_pyhd8ed1ab_2
- cryptography=39.0.1=py310h9ce1e76_0
- cudatoolkit=11.3.1=h2bc3f7f_2
- cycler=0.11.0=pyhd8ed1ab_0
- datamol=0.10.3=pyhd8ed1ab_0
- decorator=5.1.1=pyhd8ed1ab_0
- expat=2.5.0=hcb278e6_1
- fontconfig=2.14.1=h52c9d5c_1
- freetype=2.12.1=hca18f0e_1
- frozenlist=1.3.3=py310h5764c6d_0
- fsspec=2023.5.0=pyh1a96a4e_0
- future=0.18.3=py310h06a4308_0
- gcsfs=2023.5.0=pyhd8ed1ab_0
- gflags=2.2.2=he1b5a44_1004
- giflib=5.2.1=h0b41bf4_3
- glib=2.69.1=he621ea3_2
- glog=0.5.0=h48cff8f_0
- google-api-core=2.11.0=pyhd8ed1ab_0
- google-auth=2.18.1=pyh1a96a4e_0
- google-auth-oauthlib=1.0.0=pyhd8ed1ab_0
- google-cloud-core=2.3.2=pyhd8ed1ab_0
- google-cloud-storage=2.9.0=pyh1a96a4e_0
- google-crc32c=1.1.2=py310he8fe98e_4
- google-resumable-media=2.5.0=pyhd8ed1ab_0
- googleapis-common-protos=1.57.1=pyhd8ed1ab_0
- greenlet=2.0.1=py310h6a678d5_0
- grpc-cpp=1.46.1=h33aed49_1
- h5py=3.7.0=nompi_py310h06dffec_100
- hdf5=1.12.1=nompi_h2386368_104
- hydra-core=1.3.2=pyhd8ed1ab_0
- icu=70.1=h27087fc_0
- idna=3.4=py310h06a4308_0
- importlib_resources=5.12.0=pyhd8ed1ab_0
- intel-openmp=2023.1.0=hdb19cb5_46305
- jinja2=3.1.2=py310h06a4308_0
- jmespath=1.0.1=pyhd8ed1ab_0
- joblib=1.1.1=py310h06a4308_0
- jpeg=9e=h0b41bf4_3
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.4=py310h6a678d5_0
- krb5=1.19.3=h3790be6_0
- lcms2=2.15=hfd0df8a_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libbrotlicommon=1.0.9=h166bdaf_8
- libbrotlidec=1.0.9=h166bdaf_8
- libbrotlienc=1.0.9=h166bdaf_8
- libcrc32c=1.1.2=h9c3ff4c_0
- libcurl=7.87.0=h91b91d3_0
- libdeflate=1.17=h0b41bf4_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=h516909a_1
- libevent=2.1.10=h9b69904_4
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=12.2.0=h65d4601_19
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libiconv=1.17=h166bdaf_0
- libnghttp2=1.46.0=hce63b2e_0
- libopenblas=0.3.21=h043d6bf_0
- libpng=1.6.39=h753d276_0
- libprotobuf=3.20.3=he621ea3_0
- libssh2=1.10.0=haa6b8db_3
- libstdcxx-ng=11.2.0=h1234567_1
- libthrift=0.15.0=he6d91bd_1
- libtiff=4.5.0=h6a678d5_2
- libuuid=1.41.5=h5eee18b_0
- libwebp=1.2.4=h1daa5a0_1
- libwebp-base=1.2.4=h5eee18b_1
- libxcb=1.15=h0b41bf4_0
- libxml2=2.9.14=h22db469_4
- libzlib=1.2.13=h166bdaf_4
- llvm-openmp=16.0.4=h4dfa4b3_0
- loguru=0.7.0=py310hff52083_0
- lz4-c=1.9.4=h6a678d5_0
- markupsafe=2.1.1=py310h7f8727e_0
- matplotlib-base=3.4.3=py310h23f4a51_2
- mkl=2023.1.0=h6d00ec8_46342
- mkl-service=2.4.0=py310h5eee18b_1
- mkl_fft=1.3.6=py310h1128e8f_1
- mkl_random=1.2.2=py310h1128e8f_1
- molfeat=0.8.8=pyhd8ed1ab_0
- mordred=1.2.0=py_1
- multidict=6.0.4=py310h1fa729e_0
- ncurses=6.4=h6a678d5_0
- ninja=1.10.2=h06a4308_5
- ninja-base=1.10.2=hd09550d_5
- numexpr=2.8.4=py310h85018f9_1
- oauthlib=3.2.2=pyhd8ed1ab_0
- omegaconf=2.3.0=pyhd8ed1ab_0
- openssl=1.1.1t=h0b41bf4_0
- orc=1.7.4=hb3bc3d3_1
- packaging=23.0=py310h06a4308_0
- pandas=1.5.2=py310h1128e8f_0
- pcre=8.45=h9c3ff4c_0
- pip=23.0.1=py310h06a4308_0
- pixman=0.40.0=h36c2ea0_0
- platformdirs=3.5.1=pyhd8ed1ab_0
- pmapper=1.0.0=pyhd8ed1ab_0
- pooch=1.4.0=pyhd3eb1b0_0
- protobuf=3.20.3=py310h6a678d5_0
- psutil=5.9.0=py310h5eee18b_0
- pthread-stubs=0.4=h36c2ea0_1001
- pyarrow=11.0.0=py310h468efa6_0
- pyasn1=0.4.8=py_0
- pyasn1-modules=0.2.7=py_0
- pycairo=1.23.0=py310hb8a676c_0
- pycparser=2.21=pyhd3eb1b0_0
- pydantic=1.10.8=py310h2372a71_0
- pyg=2.3.0=py310_torch_1.12.0_cu113
- pyjwt=2.7.0=pyhd8ed1ab_0
- pyopenssl=23.0.0=py310h06a4308_0
- pyparsing=3.0.9=py310h06a4308_0
- pysocks=1.7.1=py310h06a4308_0
- python=3.10.11=h7a1cb2a_2
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python_abi=3.10=2_cp310
- pytz=2022.7=py310h06a4308_0
- pyu2f=0.1.5=pyhd8ed1ab_0
- pyyaml=6.0=py310h5eee18b_1
- rdkit=2022.03.2=py310h1c297d8_0
- re2=2022.04.01=h27087fc_0
- readline=8.2=h5eee18b_0
- reportlab=3.6.13=py310h1a56a1c_0
- requests=2.29.0=py310h06a4308_0
- requests-oauthlib=1.3.1=pyhd8ed1ab_0
- rsa=4.9=pyhd8ed1ab_0
- s3fs=2023.5.0=pyhd8ed1ab_0
- scikit-learn=1.2.2=py310h6a678d5_0
- scipy=1.10.1=py310h5f9d8c6_1
- selfies=2.1.1=pyhd8ed1ab_0
- setuptools=66.0.0=py310h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- snappy=1.1.9=h295c915_0
- sqlalchemy=2.0.15=py310h2372a71_0
- sqlite=3.41.2=h5eee18b_0
- tbb=2021.8.0=hdb19cb5_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- tornado=6.3.2=py310h2372a71_0
- tqdm=4.65.0=py310h2f386ee_0
- typing-extensions=4.5.0=py310h06a4308_0
- typing_extensions=4.5.0=py310h06a4308_0
- tzdata=2023c=h04d1e81_0
- urllib3=1.26.15=py310h06a4308_0
- utf8proc=2.6.1=h27cfd23_0
- wheel=0.38.4=py310h06a4308_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xz=5.2.10=h5eee18b_1
- yaml=0.2.5=h7b6447c_0
- zipp=3.15.0=pyhd8ed1ab_0
- zlib=1.2.13=h166bdaf_4
- zstd=1.5.2=h8a70e8d_1
- pip:
- absl-py==1.4.0
- accelerate==0.20.3
- alembic==1.11.1
- anyio==3.7.0
- arrow==1.2.3
- astunparse==1.6.3
- attrs==21.4.0
- autopage==0.5.1
- beautifulsoup4==4.12.2
- bit-diffusion==0.1.0
- bleach==6.0.0
- blessed==1.20.0
- cfgv==3.3.1
- chembl-webresource-client==0.10.8
- cliff==4.3.0
- cmaes==0.9.1
- cmd2==2.4.3
- colorlog==6.7.0
- contourpy==1.0.7
- croniter==1.3.15
- dateutils==0.6.12
- deepdiff==6.3.0
- distlib==0.3.6
- docker-pycreds==0.4.0
- docutils==0.20.1
- easydict==1.10
- einops==0.6.1
- ema-pytorch==0.2.3
- exceptiongroup==1.1.1
- fastapi==0.88.0
- filelock==3.9.0
- flatbuffers==23.5.9
- fonttools==4.39.4
- gast==0.4.0
- gitdb==4.0.10
- gitpython==3.1.31
- google-pasta==0.2.0
- grpcio==1.54.2
- h11==0.14.0
- huggingface-hub==0.14.1
- hydra-colorlog==1.2.0
- hydra-optuna-sweeper==1.2.0
- identify==2.5.24
- importlib-metadata==6.6.0
- iniconfig==2.0.0
- inquirer==3.1.3
- itsdangerous==2.1.2
- jaraco-classes==3.2.3
- jax==0.4.10
- jeepney==0.8.0
- keras==2.12.0
- keyring==23.13.1
- levenshtein==0.21.0
- libclang==16.0.0
- lightning==2.0.3
- lightning-cloud==0.5.36
- lightning-utilities==0.8.0
- mako==1.2.4
- markdown==3.4.3
- markdown-it-py==2.2.0
- matplotlib==3.7.1
- mdurl==0.1.2
- ml-dtypes==0.1.0
- moleculeace==2.0.1
- more-itertools==9.1.0
- mpmath==1.2.1
- networkx==3.0
- nodeenv==1.8.0
- numpy==1.23.5
- opt-einsum==3.3.0
- optuna==2.10.1
- ordered-set==4.1.0
- pathtools==0.1.2
- pbr==5.11.1
- pillow==9.3.0
- pkginfo==1.9.6
- pluggy==1.2.0
- pre-commit==3.3.3
- prettytable==3.8.0
- pyaml==23.5.9
- pygments==2.15.1
- pyperclip==1.8.2
- pyrootutils==1.0.4
- pytest==7.3.2
- python-dotenv==1.0.0
- python-editor==1.0.4
- python-levenshtein==0.21.0
- python-multipart==0.0.6
- pytorch-lightning==2.0.4
- rapidfuzz==3.0.0
- rdkit-pypi==2022.9.5
- readchar==4.0.5
- readme-renderer==37.3
- regex==2023.5.5
- requests-cache==0.7.5
- requests-toolbelt==1.0.0
- rfc3986==2.0.0
- rich==13.3.5
- scikit-optimize==0.9.0
- secretstorage==3.3.3
- sentry-sdk==1.26.0
- setproctitle==1.3.2
- smmap==5.0.0
- sniffio==1.3.0
- soupsieve==2.4.1
- src==0.0.1
- starlette==0.22.0
- starsessions==1.3.0
- stevedore==5.1.0
- sympy==1.11.1
- tensorboard==2.12.3
- tensorboard-data-server==0.7.0
- tensorflow==2.12.0
- tensorflow-estimator==2.12.0
- tensorflow-io-gcs-filesystem==0.32.0
- termcolor==2.3.0
- tokenizers==0.13.3
- tomli==2.0.1
- torch==2.0.1+cpu
- torchaudio==2.0.2+cpu
- torchmetrics==0.11.4
- torchvision==0.15.2+cpu
- traitlets==5.9.0
- transformers==4.29.2
- twine==4.0.2
- url-normalize==1.4.3
- uvicorn==0.22.0
- virtualenv==20.23.1
- wandb==0.15.4
- wcwidth==0.2.6
- webencodings==0.5.1
- websocket-client==1.6.0
- websockets==11.0.3
- werkzeug==2.3.4
- wrapt==1.14.1
- yarl==1.9.2
## pip paste starts here
- absl-py==1.4.0
- accelerate==0.20.3
- aiobotocore @ file:///home/conda/feedstock_root/build_artifacts/aiobotocore_1678454742153/work
- aiohttp @ file:///home/conda/feedstock_root/build_artifacts/aiohttp_1676292661248/work
- aioitertools @ file:///home/conda/feedstock_root/build_artifacts/aioitertools_1663521246073/work
- aiosignal @ file:///home/conda/feedstock_root/build_artifacts/aiosignal_1667935791922/work
- alembic==1.11.1
- antlr4-python3-runtime @ file:///home/conda/feedstock_root/build_artifacts/antlr-python-runtime-meta_1638309185939/work
- anyio==3.7.0
- appdirs==1.4.4
- arrow==1.2.3
- astunparse==1.6.3
- async-timeout @ file:///home/conda/feedstock_root/build_artifacts/async-timeout_1640026696943/work
- attrs @ file:///home/conda/feedstock_root/build_artifacts/attrs_1683424013410/work
- autopage==0.5.1
- beautifulsoup4==4.12.2
- bit-diffusion==0.1.0
- bleach==6.0.0
- blessed==1.20.0
- blinker @ file:///home/conda/feedstock_root/build_artifacts/blinker_1681349778161/work
- botocore @ file:///home/conda/feedstock_root/build_artifacts/botocore_1677024021378/work
- Bottleneck @ file:///opt/conda/conda-bld/bottleneck_1657175564434/work
- brotlipy==0.7.0
- cached-property @ file:///home/conda/feedstock_root/build_artifacts/cached_property_1615209429212/work
- cachetools @ file:///home/conda/feedstock_root/build_artifacts/cachetools_1674482203741/work
- certifi==2023.5.7
- cffi @ file:///croot/cffi_1670423208954/work
- cfgv==3.3.1
- charset-normalizer @ file:///tmp/build/80754af9/charset-normalizer_1630003229654/work
- chembl-webresource-client==0.10.8
- click @ file:///home/conda/feedstock_root/build_artifacts/click_1666798198223/work
- cliff==4.3.0
- cmaes==0.9.1
- cmd2==2.4.3
- colorlog==6.7.0
- contourpy==1.0.7
- croniter==1.3.15
- cryptography @ file:///croot/cryptography_1677533068310/work
- cycler @ file:///home/conda/feedstock_root/build_artifacts/cycler_1635519461629/work
- datamol @ file:///home/conda/feedstock_root/build_artifacts/datamol_1682991054221/work
- dateutils==0.6.12
- decorator @ file:///home/conda/feedstock_root/build_artifacts/decorator_1641555617451/work
- deepdiff==6.3.0
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- filelock @ file:///home/conda/feedstock_root/build_artifacts/filelock_1681839547898/work
- flatbuffers==23.5.9
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- frozenlist @ file:///home/conda/feedstock_root/build_artifacts/frozenlist_1667935435842/work
- fsspec @ file:///home/conda/feedstock_root/build_artifacts/fsspec_1683494881189/work
- future @ file:///croot/future_1677599870788/work
- gast==0.4.0
- gcsfs @ file:///home/conda/feedstock_root/build_artifacts/gcsfs_1683503493718/work
- gitdb==4.0.10
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- google-api-core @ file:///home/conda/feedstock_root/build_artifacts/google-api-core-split_1670580271439/work
- google-auth @ file:///home/conda/feedstock_root/build_artifacts/google-auth_1684377049357/work
- google-auth-oauthlib @ file:///home/conda/feedstock_root/build_artifacts/google-auth-oauthlib_1675825735130/work
- google-cloud-core @ file:///home/conda/feedstock_root/build_artifacts/google-cloud-core_1658759191372/work
- google-cloud-storage @ file:///home/conda/feedstock_root/build_artifacts/google-cloud-storage_1683272316756/work
- google-crc32c @ file:///home/conda/feedstock_root/build_artifacts/google-crc32c_1666826728519/work
- google-pasta==0.2.0
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- googleapis-common-protos @ file:///home/conda/feedstock_root/build_artifacts/googleapis-common-protos-feedstock_1672913962683/work
- greenlet @ file:///croot/greenlet_1670513226095/work
- grpcio==1.54.2
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- h5py @ file:///home/conda/feedstock_root/build_artifacts/h5py_1656336064499/work
- huggingface-hub==0.14.1
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- iniconfig==2.0.0
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- Jinja2 @ file:///croot/jinja2_1666908132255/work
- jmespath @ file:///home/conda/feedstock_root/build_artifacts/jmespath_1655568249366/work
- joblib @ file:///croot/joblib_1666298844297/work
- keras==2.12.0
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- loguru @ file:///home/conda/feedstock_root/build_artifacts/loguru_1681126194961/work
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- MarkupSafe @ file:///opt/conda/conda-bld/markupsafe_1654597864307/work
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- molfeat @ file:///home/conda/feedstock_root/build_artifacts/molfeat_1683221732079/work
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- multidict @ file:///home/conda/feedstock_root/build_artifacts/multidict_1672339403932/work
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- opt-einsum==3.3.0
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- pandas==1.5.2
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- platformdirs @ file:///home/conda/feedstock_root/build_artifacts/platformdirs_1683850015520/work
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- rapidfuzz==3.0.0
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- reportlab @ file:///home/conda/feedstock_root/build_artifacts/reportlab_1682601120868/work
- requests @ file:///croot/requests_1682607517574/work
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- rsa @ file:///home/conda/feedstock_root/build_artifacts/rsa_1658328885051/work
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- src @ file:///home/semibah/Documents/code/tlacamr
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