mirror of
https://github.com/gcorso/DiffDock.git
synced 2026-06-05 02:14:21 +08:00
103 lines
1.9 KiB
YAML
103 lines
1.9 KiB
YAML
name: diffdock
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channels:
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- pytorch
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- defaults
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dependencies:
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- blas=1.0
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- brotlipy=0.7.0
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- bzip2=1.0.8
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- ca-certificates=2022.07.19
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- certifi=2022.9.14
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- cffi=1.15.1
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- charset-normalizer=2.0.4
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- cryptography=37.0.1
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- ffmpeg=4.3
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- freetype=2.11.0
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- gettext=0.21.0
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- giflib=5.2.1
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- gmp=6.2.1
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- gnutls=3.6.15
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- icu=58.2
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- idna=3.3
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- intel-openmp=2021.4.0
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- jpeg=9e
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- lame=3.100
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- lcms2=2.12
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- lerc=3.0
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- libcxx=14.0.6
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- libdeflate=1.8
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- libffi=3.3
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- libiconv=1.16
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- libidn2=2.3.2
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- libpng=1.6.37
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- libtasn1=4.16.0
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- libtiff=4.4.0
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- libunistring=0.9.10
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- libwebp=1.2.2
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- libwebp-base=1.2.2
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- libxml2=2.9.14
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- llvm-openmp=14.0.6
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- lz4-c=1.9.3
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- mkl=2021.4.0
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- mkl-service=2.4.0
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- mkl_fft=1.3.1
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- mkl_random=1.2.2
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- ncurses=6.3
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- nettle=3.7.3
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- numpy=1.23.1
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- numpy-base=1.23.1
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- openh264=2.1.1
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- openssl=1.1.1q
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- pillow=9.2.0
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- pip=22.2.2
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- pycparser=2.21
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- pyopenssl=22.0.0
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- pysocks=1.7.1
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- python=3.9.13
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- pytorch=1.12.1
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- readline=8.1.2
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- requests=2.28.1
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- setuptools=63.4.1
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- six=1.16.0
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- sqlite=3.39.3
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- tk=8.6.12
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- torchaudio=0.12.1
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- torchvision=0.13.1
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- typing_extensions=4.3.0
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- tzdata=2022c
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- urllib3=1.26.11
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- wheel=0.37.1
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- xz=5.2.6
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- zlib=1.2.12
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- zstd=1.5.2
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- pip:
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- biopandas==0.4.1
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- biopython==1.79
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- e3nn==0.5.0
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- jinja2==3.1.2
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- joblib==1.2.0
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- markupsafe==2.1.1
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- mpmath==1.2.1
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- networkx==2.8.7
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- opt-einsum==3.3.0
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- opt-einsum-fx==0.1.4
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- packaging==21.3
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- pandas==1.5.0
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- pyaml==21.10.1
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- pyparsing==3.0.9
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- python-dateutil==2.8.2
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- pytz==2022.4
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- pyyaml==6.0
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- rdkit-pypi==2022.3.5
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- scikit-learn==1.1.2
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- scipy==1.9.1
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- spyrmsd==0.5.2
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- sympy==1.11.1
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- threadpoolctl==3.1.0
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- torch-cluster==1.6.0
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- torch-geometric==2.1.0.post1
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- torch-scatter==2.0.9
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- torch-sparse==0.6.15
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- torch-spline-conv==1.2.1
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- tqdm==4.64.1
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