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