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environment.yml
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environment.yml
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name: env
channels:
- conda-forge
- salilab
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- absl-py=2.0.0=pyhd8ed1ab_0
- aiohttp=3.9.1=py311h459d7ec_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- asttokens=2.4.1=pyhd8ed1ab_0
- attrs=23.1.0=pyh71513ae_1
- blinker=1.7.0=pyhd8ed1ab_0
- brotli-python=1.1.0=py311hb755f60_1
- bzip2=1.0.8=hd590300_5
- c-ares=1.22.1=hd590300_0
- ca-certificates=2023.11.17=hbcca054_0
- cachetools=5.3.2=pyhd8ed1ab_0
- certifi=2023.11.17=pyhd8ed1ab_0
- cffi=1.16.0=py311hb3a22ac_0
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- click=8.1.7=unix_pyh707e725_0
- comm=0.1.4=pyhd8ed1ab_0
- cryptography=41.0.7=py311h63ff55d_0
- debugpy=1.8.0=py311hb755f60_1
- decorator=5.1.1=pyhd8ed1ab_0
- exceptiongroup=1.2.0=pyhd8ed1ab_0
- executing=2.0.1=pyhd8ed1ab_0
- frozenlist=1.4.0=py311h459d7ec_1
- google-auth=2.23.4=pyhca7485f_0
- google-auth-oauthlib=1.1.0=pyhd8ed1ab_0
- grpcio=1.59.3=py311ha6695c7_0
- idna=3.6=pyhd8ed1ab_0
- importlib-metadata=6.8.0=pyha770c72_0
- importlib_metadata=6.8.0=hd8ed1ab_0
- ipykernel=6.26.0=pyhf8b6a83_0
- ipython=8.18.0=pyh0d859eb_0
- jedi=0.19.1=pyhd8ed1ab_0
- jupyter_client=8.6.0=pyhd8ed1ab_0
- jupyter_core=5.5.0=py311h38be061_0
- ld_impl_linux-64=2.40=h41732ed_0
- libabseil=20230802.1=cxx17_h59595ed_0
- libblas=3.9.0=20_linux64_openblas
- libcblas=3.9.0=20_linux64_openblas
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.2.0=h807b86a_3
- libgfortran-ng=13.2.0=h69a702a_3
- libgfortran5=13.2.0=ha4646dd_3
- libgomp=13.2.0=h807b86a_3
- libgrpc=1.59.3=hd6c4280_0
- liblapack=3.9.0=20_linux64_openblas
- libnsl=2.0.1=hd590300_0
- libopenblas=0.3.25=pthreads_h413a1c8_0
- libprotobuf=4.24.4=hf27288f_0
- libre2-11=2023.06.02=h7a70373_0
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.44.2=h2797004_0
- libstdcxx-ng=13.2.0=h7e041cc_3
- libuuid=2.38.1=h0b41bf4_0
- libzlib=1.2.13=hd590300_5
- markdown=3.5.1=pyhd8ed1ab_0
- markupsafe=2.1.3=py311h459d7ec_1
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- multidict=6.0.4=py311h459d7ec_1
- ncurses=6.4=h59595ed_2
- nest-asyncio=1.5.8=pyhd8ed1ab_0
- numpy=1.26.2=py311h64a7726_0
- oauthlib=3.2.2=pyhd8ed1ab_0
- openssl=3.2.0=hd590300_1
- packaging=23.2=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pip=23.3.1=pyhd8ed1ab_0
- platformdirs=4.0.0=pyhd8ed1ab_0
- prompt-toolkit=3.0.41=pyha770c72_0
- prompt_toolkit=3.0.41=hd8ed1ab_0
- protobuf=4.24.4=py311h46cbc50_0
- psutil=5.9.8=py311h459d7ec_0
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- pyasn1=0.5.0=pyhd8ed1ab_0
- pyasn1-modules=0.3.0=pyhd8ed1ab_0
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.17.2=pyhd8ed1ab_0
- pyjwt=2.8.0=pyhd8ed1ab_0
- pyopenssl=23.3.0=pyhd8ed1ab_0
- pysocks=1.7.1=pyha2e5f31_6
- python=3.11.6=hab00c5b_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.11=4_cp311
- pyu2f=0.1.5=pyhd8ed1ab_0
- pyzmq=25.1.1=py311h34ded2d_2
- re2=2023.06.02=h2873b5e_0
- readline=8.2=h8228510_1
- requests=2.31.0=pyhd8ed1ab_0
- requests-oauthlib=1.3.1=pyhd8ed1ab_0
- rsa=4.9=pyhd8ed1ab_0
- setuptools=68.2.2=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- stack_data=0.6.2=pyhd8ed1ab_0
- tensorboard=2.15.1=pyhd8ed1ab_0
- tensorboard-data-server=0.7.0=py311h63ff55d_1
- tk=8.6.13=noxft_h4845f30_101
- tornado=6.3.3=py311h459d7ec_1
- traitlets=5.13.0=pyhd8ed1ab_0
- typing_extensions=4.8.0=pyha770c72_0
- urllib3=2.1.0=pyhd8ed1ab_0
- wcwidth=0.2.12=pyhd8ed1ab_0
- werkzeug=3.0.1=pyhd8ed1ab_0
- wheel=0.41.3=pyhd8ed1ab_0
- xz=5.2.6=h166bdaf_0
- yarl=1.9.3=py311h459d7ec_0
- zeromq=4.3.5=h59595ed_0
- zipp=3.17.0=pyhd8ed1ab_0
- pip:
- annotated-types==0.6.0
- anyio==4.2.0
- appdirs==1.4.4
- argparse==1.4.0
- autograd==1.6.2
- autograd-gamma==0.5.0
- automat==22.10.0
- buildtools==1.0.6
# - causal-conv1d==1.1.3.post1
- cloudpickle==3.0.0
- constantly==23.10.4
- contourpy==1.2.0
- cycler==0.12.1
- dask==2024.2.0
- docker-pycreds==0.4.0
- docopt==0.6.2
- einops==0.7.0
- fastapi==0.109.2
- fastprogress==1.0.3
- filelock==3.13.1
- fonttools==4.48.1
- formulaic==1.0.1
- fsspec==2023.12.2
- furl==2.1.3
- future==0.18.3
- gensim==4.3.2
- gitdb==4.0.11
- gitpython==3.1.41
# - gpcrscan==0.0.1
- greenlet==3.0.3
- h11==0.14.0
- h5py==3.10.0
- huggingface-hub==0.20.3
- hyperlink==21.0.0
- incremental==22.10.0
- interface-meta==1.3.0
- joblib==1.3.2
- kiwisolver==1.4.5
- lifelines==0.28.0
- lightning==2.1.4
- lightning-utilities==0.10.1
- locket==1.0.0
# - mamba-ssm==1.1.3.post1
- matplotlib==3.8.2
- mpmath==1.3.0
- networkx==3.2.1
- ninja==1.11.1.1
- 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-nccl-cu12==2.19.3
- nvidia-nvjitlink-cu12==12.3.101
- nvidia-nvtx-cu12==12.1.105
- orderedmultidict==1.0.1
- pandas==2.2.0
- partd==1.4.1
- pillow==10.2.0
- pyarrow==15.0.0
- pydantic==2.6.1
- pydantic-core==2.16.2
- pydantic-settings==2.1.0
- pyparsing==3.1.1
- python-dotenv==1.0.1
- pytorch-lightning==2.1.4
- pytz==2024.1
- rdkit==2023.9.4
- redo==2.0.4
- regex==2023.12.25
- safetensors==0.4.2
- scikit-learn==1.4.0
- scipy==1.12.0
- selfies==2.1.1
- sentry-sdk==1.40.0
- setproctitle==1.3.3
- simplejson==3.19.2
- smart-open==6.4.0
- smilespe==0.0.3
- smmap==5.0.1
- sniffio==1.3.0
- sqlalchemy==2.0.25
- starlette==0.36.3
- swifter==1.4.0
- sympy==1.12
- threadpoolctl==3.2.0
- tokenizers==0.15.1
- toolz==0.12.1
- torch==2.2.0
- torchmetrics==1.3.0.post0
- tqdm==4.66.1
- transformers==4.37.2
- triton==2.2.0
- twisted==23.10.0
- tzdata==2023.4
- uvicorn==0.27.1
- wandb==0.16.2
- wrapt==1.16.0
- zope-interface==6.1
- email-validator
- Werkzeug==3.0.3
- pyjwt
- httpx