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invbo.yml
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invbo.yml
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name: invbo
channels:
- pytorch
- nvidia
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- blas=1.0=mkl
- ca-certificates=2024.9.24=h06a4308_0
- cuda-cudart=11.7.99=0
- cuda-cupti=11.7.101=0
- cuda-libraries=11.7.1=0
- cuda-nvrtc=11.7.99=0
- cuda-nvtx=11.7.91=0
- cuda-runtime=11.7.1=0
- cuda-version=12.6=3
- filelock=3.13.1=py39h06a4308_0
- fsspec=2024.6.1=py39h06a4308_0
- gmp=6.2.1=h295c915_3
- gmpy2=2.1.2=py39heeb90bb_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- jinja2=3.1.4=py39h06a4308_1
- ld_impl_linux-64=2.40=h12ee557_0
- libcublas=11.10.3.66=0
- libcufft=10.7.2.124=h4fbf590_0
- libcufile=1.11.1.6=0
- libcurand=10.3.7.77=0
- libcusolver=11.4.0.1=0
- libcusparse=11.7.4.91=0
- libffi=3.4.4=h6a678d5_1
- libgcc-ng=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libnpp=11.7.4.75=0
- libnvjpeg=11.8.0.2=0
- libstdcxx-ng=11.2.0=h1234567_1
- lightning-utilities=0.9.0=py39h06a4308_0
- markupsafe=2.1.3=py39h5eee18b_0
- mkl=2023.1.0=h213fc3f_46344
- mkl-service=2.4.0=py39h5eee18b_1
- mkl_fft=1.3.11=py39h5eee18b_0
- mkl_random=1.2.8=py39h1128e8f_0
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- mpmath=1.3.0=py39h06a4308_0
- ncurses=6.4=h6a678d5_0
- networkx=3.2.1=py39h06a4308_0
- numpy=1.26.4=py39h5f9d8c6_0
- numpy-base=1.26.4=py39hb5e798b_0
- openssl=3.0.15=h5eee18b_0
- packaging=24.1=py39h06a4308_0
- pip=24.2=py39h06a4308_0
- python=3.9.20=he870216_1
- pytorch=2.0.0=py3.9_cuda11.7_cudnn8.5.0_0
- pytorch-cuda=11.7=h778d358_5
- pytorch-lightning=2.3.0=py39h06a4308_0
- pytorch-mutex=1.0=cuda
- pyyaml=6.0.2=py39h5eee18b_0
- readline=8.2=h5eee18b_0
- setuptools=75.1.0=py39h06a4308_0
- sqlite=3.45.3=h5eee18b_0
- sympy=1.13.2=py39h06a4308_0
- tbb=2021.8.0=hdb19cb5_0
- tk=8.6.14=h39e8969_0
- torchmetrics=1.4.0.post0=py39h06a4308_0
- torchtriton=2.0.0=py39
- tqdm=4.66.5=py39h2f386ee_0
- typing-extensions=4.11.0=py39h06a4308_0
- typing_extensions=4.11.0=py39h06a4308_0
- tzdata=2024b=h04d1e81_0
- wheel=0.44.0=py39h06a4308_0
- xz=5.4.6=h5eee18b_1
- yaml=0.2.5=h7b6447c_0
- zlib=1.2.13=h5eee18b_1
- pip:
- botorch==0.10.0
- certifi==2024.8.30
- charset-normalizer==3.4.0
- click==8.1.7
- contourpy==1.3.0
- cycler==0.12.1
- docker-pycreds==0.4.0
- fcd==1.2.2
- fcd-torch==1.0.7
- fire==0.7.0
- fonttools==4.54.1
- gitdb==4.0.11
- gitpython==3.1.43
- gpytorch==1.11
- guacamol==0.5.5
- idna==3.10
- importlib-metadata==8.5.0
- importlib-resources==6.4.5
- jaxtyping==0.2.19
- joblib==1.4.2
- kiwisolver==1.4.7
- linear-operator==0.5.1
- matplotlib==3.9.2
- multipledispatch==1.0.0
- opt-einsum==3.4.0
- pandas==1.5.3
- pillow==11.0.0
- platformdirs==4.3.6
- protobuf==5.28.3
- psutil==6.1.0
- pyparsing==3.2.0
- pyro-api==0.1.2
- pyro-ppl==1.9.1
- python-dateutil==2.9.0.post0
- pytz==2024.2
- rdkit==2024.3.6
- rdkit-pypi==2022.3.1
- requests==2.32.3
- scikit-learn==1.5.2
- scipy==1.11.3
- selfies==2.0.0
- sentry-sdk==2.18.0
- setproctitle==1.3.3
- six==1.16.0
- smmap==5.0.1
- termcolor==2.5.0
- threadpoolctl==3.5.0
- typeguard==2.13.3
- urllib3==2.2.3
- wandb==0.18.7
- zipp==3.21.0