name: vina
channels:
  - conda-forge
dependencies:
  - _openmp_mutex=4.5=2_gnu
  - asttokens=3.0.0=pyhd8ed1ab_1
  - biopython=1.85=py311ha879c10_1
  - brotli=1.1.0=h86ecc28_3
  - brotli-bin=1.1.0=h86ecc28_3
  - brotli-python=1.1.0=py311h89d996e_3
  - bzip2=1.0.8=h68df207_7
  - ca-certificates=2025.7.14=hbd8a1cb_0
  - cairo=1.18.4=h83712da_0
  - certifi=2025.7.14=pyhd8ed1ab_0
  - cffi=1.17.1=py311h14e8bb7_0
  - chardet=5.2.0=pyhd8ed1ab_3
  - charset-normalizer=3.4.2=pyhd8ed1ab_0
  - contourpy=1.3.3=py311hfca10b7_0
  - cycler=0.12.1=pyhd8ed1ab_1
  - cyrus-sasl=2.1.28=h6c5dea3_0
  - decorator=5.2.1=pyhd8ed1ab_0
  - exceptiongroup=1.3.0=pyhd8ed1ab_0
  - executing=2.2.0=pyhd8ed1ab_0
  - font-ttf-dejavu-sans-mono=2.37=hab24e00_0
  - font-ttf-inconsolata=3.000=h77eed37_0
  - font-ttf-source-code-pro=2.038=h77eed37_0
  - font-ttf-ubuntu=0.83=h77eed37_3
  - fontconfig=2.15.0=h8dda3cd_1
  - fonts-conda-ecosystem=1=0
  - fonts-conda-forge=1=0
  - fonttools=4.59.0=py311h164a683_0
  - freetype=2.13.3=h8af1aa0_1
  - freetype-py=2.3.0=pyhd8ed1ab_0
  - gemmi=0.7.3=py311ha7f510e_1
  - greenlet=3.2.3=py311h89d996e_0
  - h2=4.2.0=pyhd8ed1ab_0
  - hpack=4.1.0=pyhd8ed1ab_0
  - hyperframe=6.1.0=pyhd8ed1ab_0
  - icu=75.1=hf9b3779_0
  - idna=3.10=pyhd8ed1ab_1
  - ipython=9.4.0=pyhfa0c392_0
  - ipython_pygments_lexers=1.1.1=pyhd8ed1ab_0
  - jedi=0.19.2=pyhd8ed1ab_1
  - joblib=1.5.1=pyhd8ed1ab_0
  - keyutils=1.6.1=h4e544f5_0
  - kiwisolver=1.4.8=py311h75754e6_1
  - krb5=1.21.3=h50a48e9_0
  - lcms2=2.17=hc88f144_0
  - ld_impl_linux-aarch64=2.44=h5e2c951_1
  - lerc=4.0.0=hfdc4d58_1
  - libblas=3.9.0=32_h1a9f1db_openblas
  - libboost=1.86.0=h4d13611_3
  - libboost-python=1.86.0=py311hb9acf69_3
  - libbrotlicommon=1.1.0=h86ecc28_3
  - libbrotlidec=1.1.0=h86ecc28_3
  - libbrotlienc=1.1.0=h86ecc28_3
  - libcblas=3.9.0=32_hab92f65_openblas
  - libdeflate=1.24=he377734_0
  - libedit=3.1.20250104=pl5321h976ea20_0
  - libexpat=2.7.1=hfae3067_0
  - libffi=3.4.6=he21f813_1
  - libfreetype=2.13.3=h8af1aa0_1
  - libfreetype6=2.13.3=he93130f_1
  - libgcc=15.1.0=he277a41_4
  - libgcc-ng=15.1.0=he9431aa_4
  - libgfortran=15.1.0=he9431aa_4
  - libgfortran5=15.1.0=hbc25352_4
  - libglib=2.84.2=hc022ef1_0
  - libgomp=15.1.0=he277a41_4
  - libiconv=1.18=hc99b53d_1
  - libjpeg-turbo=3.1.0=h86ecc28_0
  - liblapack=3.9.0=32_h411afd4_openblas
  - liblzma=5.8.1=h86ecc28_2
  - libnsl=2.0.1=h86ecc28_1
  - libntlm=1.4=hf897c2e_1002
  - libopenblas=0.3.30=pthreads_h9d3fd7e_1
  - libpng=1.6.50=h1abf092_1
  - libpq=17.5=hf590da8_0
  - librdkit=2025.03.5=h455954b_0
  - libsqlite=3.50.4=h022381a_0
  - libstdcxx=15.1.0=h3f4de04_4
  - libstdcxx-ng=15.1.0=hf1166c9_4
  - libtiff=4.7.0=h7c15681_5
  - libuuid=2.38.1=hb4cce97_0
  - libwebp-base=1.6.0=ha2e29f5_0
  - libxcb=1.17.0=h262b8f6_0
  - libxcrypt=4.4.36=h31becfc_1
  - libzlib=1.3.1=h86ecc28_2
  - markdown-it-py=3.0.0=pyhd8ed1ab_1
  - matplotlib-base=3.10.3=py311h0385ec1_0
  - matplotlib-inline=0.1.7=pyhd8ed1ab_1
  - mdurl=0.1.2=pyhd8ed1ab_1
  - meeko=0.6.1=pyhd8ed1ab_0
  - munkres=1.1.4=pyhd8ed1ab_1
  - ncurses=6.5=ha32ae93_3
  - numpy=1.26.4=py311h69ead2a_0
  - openjpeg=2.5.3=h3f56577_0
  - openldap=2.6.10=h30c48ee_0
  - openssl=3.5.1=hd08dc88_0
  - packaging=25.0=pyh29332c3_1
  - pandas=2.3.1=py311hffd966a_0
  - parallel=20250622=h8af1aa0_0
  - parso=0.8.4=pyhd8ed1ab_1
  - pcre2=10.45=hf4ec17f_0
  - perl=5.32.1=7_h31becfc_perl5
  - pexpect=4.9.0=pyhd8ed1ab_1
  - pickleshare=0.7.5=pyhd8ed1ab_1004
  - pillow=11.3.0=py311ha4eaa5e_0
  - pip=25.2=pyh8b19718_0
  - pixman=0.46.4=h3945e86_0
  - prody=2.4.1=pyh5e1b82b_2
  - prompt-toolkit=3.0.51=pyha770c72_0
  - pthread-stubs=0.4=h86ecc28_1002
  - ptyprocess=0.7.0=pyhd8ed1ab_1
  - pure_eval=0.2.3=pyhd8ed1ab_1
  - pycairo=1.28.0=py311h0c1bbf2_0
  - pycparser=2.22=pyh29332c3_1
  - pygments=2.19.2=pyhd8ed1ab_0
  - pyparsing=3.1.1=pyhd8ed1ab_0
  - pysocks=1.7.1=pyha55dd90_7
  - python=3.11.13=h1683364_0_cpython
  - python-dateutil=2.9.0.post0=pyhe01879c_2
  - python-tzdata=2025.2=pyhd8ed1ab_0
  - python_abi=3.11=8_cp311
  - pytz=2025.2=pyhd8ed1ab_0
  - qhull=2020.2=h70be974_5
  - rdkit=2025.03.5=py311hffe688f_0
  - readline=8.2=h8382b9d_2
  - reportlab=4.4.1=py311ha879c10_0
  - requests=2.32.4=pyhd8ed1ab_0
  - rich=14.1.0=pyhe01879c_0
  - rlpycairo=0.2.0=pyhd8ed1ab_0
  - scipy=1.16.0=py311h1617075_0
  - setuptools=80.9.0=pyhff2d567_0
  - six=1.17.0=pyhe01879c_1
  - sqlalchemy=2.0.42=py311hb9158a3_0
  - stack_data=0.6.3=pyhd8ed1ab_1
  - tk=8.6.13=noxft_h5688188_102
  - traitlets=5.14.3=pyhd8ed1ab_1
  - typing-extensions=4.14.1=h4440ef1_0
  - typing_extensions=4.14.1=pyhe01879c_0
  - tzdata=2025b=h78e105d_0
  - unicodedata2=16.0.0=py311ha879c10_0
  - urllib3=2.5.0=pyhd8ed1ab_0
  - vina=1.2.6=py311h2cb90db_1
  - wcwidth=0.2.13=pyhd8ed1ab_1
  - wheel=0.45.1=pyhd8ed1ab_1
  - xorg-libice=1.1.2=h86ecc28_0
  - xorg-libsm=1.2.6=h0808dbd_0
  - xorg-libx11=1.8.12=hca56bd8_0
  - xorg-libxau=1.0.12=h86ecc28_0
  - xorg-libxdmcp=1.1.5=h57736b2_0
  - xorg-libxext=1.3.6=h57736b2_0
  - xorg-libxrender=0.9.12=h86ecc28_0
  - zlib-ng=2.2.4=hf428078_0
  - zstandard=0.23.0=py311ha879c10_2
  - zstd=1.5.7=hbcf94c1_2

prefix: "/share/home/lyzeng24/arm64_micromamba_envs/envs/vina"