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aev-plig-linux.yml
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aev-plig-linux.yml
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name: aev-plig
channels:
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- ca-certificates=2024.7.2=h06a4308_0
- ld_impl_linux-64=2.38=h1181459_1
- libffi=3.4.4=h6a678d5_1
- libgcc-ng=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libstdcxx-ng=11.2.0=h1234567_1
- ncurses=6.4=h6a678d5_0
- openssl=3.0.14=h5eee18b_0
- pip=24.0=py38h06a4308_0
- python=3.8.19=h955ad1f_0
- readline=8.2=h5eee18b_0
- setuptools=69.5.1=py38h06a4308_0
- sqlite=3.45.3=h5eee18b_0
- tk=8.6.14=h39e8969_0
- wheel=0.43.0=py38h06a4308_0
- xz=5.4.6=h5eee18b_1
- zlib=1.2.13=h5eee18b_1
- pip:
- aiohttp==3.9.5
- aiosignal==1.3.1
- annotated-types==0.7.0
- async-timeout==4.0.3
- attrs==23.2.0
- biopandas==0.4.1
- certifi==2024.7.4
- charset-normalizer==3.3.2
- filelock==3.15.4
- frozenlist==1.4.1
- fsspec==2024.6.1
- idna==3.7
- importlib-metadata==8.2.0
- jinja2==3.1.4
- joblib==1.4.2
- lark-parser==0.12.0
- markupsafe==2.1.5
- mpmath==1.3.0
- multidict==6.0.5
- networkx==3.1
- numpy==1.24.4
- 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==9.1.0.70
- 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==2.20.5
- nvidia-nvjitlink-cu12==12.5.82
- nvidia-nvtx-cu12==12.1.105
- pandas==2.0.3
- pillow==10.4.0
- pint==0.21.1
- psutil==6.0.0
- pydantic==2.8.2
- pydantic-core==2.20.1
- pyparsing==3.1.2
- python-dateutil==2.9.0.post0
- pytz==2024.1
- qcelemental==0.28.0
- rdkit==2024.3.3
- requests==2.32.3
- scikit-learn==1.3.2
- scipy==1.10.1
- six==1.16.0
- sympy==1.13.1
- threadpoolctl==3.5.0
- torch==2.4.0
- torch-geometric==2.5.3
- torch-scatter==2.1.2
- torchani==2.2.4
- torchaudio==2.4.0
- torchvision==0.19.0
- tqdm==4.66.4
- triton==3.0.0
- typing-extensions==4.12.2
- tzdata==2024.1
- urllib3==2.2.2
- yarl==1.9.4
- zipp==3.19.2