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environment_pinnedVersions.yml
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environment_pinnedVersions.yml
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name: abfe
channels:
- defaults
- bioconda
- openbiosim
- conda-forge
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- aioeasywebdav=2.4.0=py38h578d9bd_1001
- aiohttp=3.8.5=py38h01eb140_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- alsa-lib=1.2.8=h166bdaf_0
- ambertools=23.0=py38h3974a27_1
- amply=0.1.6=pyhd8ed1ab_0
- anyio=4.0.0=pyhd8ed1ab_0
- appdirs=1.4.4=pyh9f0ad1d_0
- argon2-cffi=23.1.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py38h01eb140_4
- arpack=3.7.0=hdefa2d7_2
- arrow=1.3.0=pyhd8ed1ab_0
- asttokens=2.4.0=pyhd8ed1ab_0
- astunparse=1.6.3=pyhd8ed1ab_0
- async-lru=2.0.4=pyhd8ed1ab_0
- async-timeout=4.0.3=pyhd8ed1ab_0
- atk-1.0=2.38.0=hd4edc92_1
- attmap=0.13.2=pyhd8ed1ab_0
- attr=2.5.1=h166bdaf_1
- attrs=23.1.0=pyh71513ae_1
- babel=2.12.1=pyhd8ed1ab_1
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=pyhd8ed1ab_3
- backports.functools_lru_cache=1.6.5=pyhd8ed1ab_0
- bcrypt=4.0.1=py38h0cc4f7c_1
- beautifulsoup4=4.12.2=pyha770c72_0
- biopython=1.81=py38h1de0b5d_0
- biosimspace=2023.2.2=py38_0
- bleach=6.0.0=pyhd8ed1ab_0
- blosc=1.21.5=h0f2a231_0
- boltons=23.0.0=pyhd8ed1ab_0
- boost=1.78.0=py38hae673b5_5
- boost-cpp=1.78.0=h6582d0a_3
- boto3=1.28.61=pyhd8ed1ab_0
- botocore=1.31.61=pyhd8ed1ab_0
- brotli=1.1.0=hd590300_1
- brotli-bin=1.1.0=hd590300_1
- brotli-python=1.1.0=py38h17151c0_1
- bzip2=1.0.8=h7f98852_4
- c-ares=1.19.1=hd590300_0
- c-blosc2=2.10.5=hb4ffafa_0
- ca-certificates=2023.7.22=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cachetools=5.3.1=pyhd8ed1ab_0
- cairo=1.16.0=h35add3b_1015
- certifi=2023.7.22=pyhd8ed1ab_0
- cffi=1.16.0=py38h6d47a40_0
- cftime=1.6.2=py38h7f0c24c_2
- chardet=5.2.0=py38h578d9bd_1
- charset-normalizer=3.3.0=pyhd8ed1ab_0
- click=8.1.7=unix_pyh707e725_0
- coin-or-cbc=2.10.10=h9002f0b_0
- coin-or-cgl=0.60.7=h516709c_0
- coin-or-clp=1.17.8=h1ee7a9c_0
- coin-or-osi=0.108.8=ha2443b9_0
- coin-or-utils=2.11.9=hee58242_0
- coincbc=2.10.10=0_metapackage
- colorama=0.4.6=pyhd8ed1ab_0
- comm=0.1.4=pyhd8ed1ab_0
- conda=23.9.0=py38h578d9bd_0
- conda-build=3.27.0=py38h578d9bd_0
- conda-index=0.2.3=pyhd8ed1ab_0
- conda-package-handling=2.2.0=pyh38be061_0
- conda-package-streaming=0.9.0=pyhd8ed1ab_0
- configargparse=1.7=pyhd8ed1ab_0
- connection_pool=0.0.3=pyhd3deb0d_0
- contourpy=1.1.1=py38h7f3f72f_1
- cryptography=41.0.4=py38hcdda232_0
- cudatoolkit=11.8.0=h4ba93d1_12
- curl=8.1.2=h409715c_0
- cycler=0.12.0=pyhd8ed1ab_0
- cython=3.0.3=py38h17151c0_0
- datrie=0.8.2=py38h01eb140_7
- dbus=1.13.6=h5008d03_3
- debugpy=1.8.0=py38h17151c0_1
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- docutils=0.20.1=py38h578d9bd_2
- dpath=2.1.6=pyha770c72_0
- dropbox=11.36.2=pyhd8ed1ab_0
- entrypoints=0.4=pyhd8ed1ab_0
- exceptiongroup=1.1.3=pyhd8ed1ab_0
- executing=1.2.0=pyhd8ed1ab_0
- expat=2.5.0=hcb278e6_1
- fasteners=0.17.3=pyhd8ed1ab_0
- fftw=3.3.10=nompi_hc118613_108
- filechunkio=1.8=py_2
- filelock=3.12.4=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=hab24e00_0
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.43.0=py38h01eb140_0
- fqdn=1.5.1=pyhd8ed1ab_0
- freetype=2.12.1=h267a509_2
- freetype-py=2.3.0=pyhd8ed1ab_0
- fribidi=1.0.10=h36c2ea0_0
- frozenlist=1.4.0=py38h01eb140_1
- ftputil=5.0.4=pyhd8ed1ab_0
- gdk-pixbuf=2.42.10=h6b639ba_2
- gettext=0.21.1=h27087fc_0
- giflib=5.2.1=h0b41bf4_3
- gitdb=4.0.10=pyhd8ed1ab_0
- gitpython=3.1.37=pyhd8ed1ab_0
- glib=2.78.0=hfc55251_0
- glib-tools=2.78.0=hfc55251_0
- gmp=6.2.1=h58526e2_0
- google-api-core=2.12.0=pyhd8ed1ab_0
- google-api-python-client=2.102.0=pyhd8ed1ab_0
- google-auth=2.23.2=pyhca7485f_0
- google-auth-httplib2=0.1.1=pyhd8ed1ab_0
- google-cloud-core=2.3.3=pyhd8ed1ab_0
- google-cloud-storage=2.11.0=pyh1a96a4e_0
- google-crc32c=1.1.2=py38hf9d55a7_5
- google-resumable-media=2.6.0=pyhd8ed1ab_0
- googleapis-common-protos=1.60.0=pyhd8ed1ab_0
- graphite2=1.3.13=h58526e2_1001
- graphviz=8.0.5=h28d9a01_0
- greenlet=2.0.2=py38h17151c0_1
- griddataformats=1.0.1=pyhd8ed1ab_0
- grpcio=1.58.1=py38h94a1851_0
- gsd=3.2.0=py38h7f0c24c_0
- gsl=2.7=he838d99_0
- gst-plugins-base=1.22.0=h4243ec0_2
- gstreamer=1.22.0=h25f0c4b_2
- gtk2=2.24.33=h90689f9_2
- gts=0.7.6=h977cf35_4
- h5py=3.9.0=nompi_py38h89e2d6c_100
- harfbuzz=7.3.0=hdb3a94d_0
- hdf4=4.2.15=h501b40f_6
- hdf5=1.14.0=nompi_hb72d44e_103
- httplib2=0.22.0=pyhd8ed1ab_0
- icu=72.1=hcb278e6_0
- idna=3.4=pyhd8ed1ab_0
- importlib-metadata=6.8.0=pyha770c72_0
- importlib-resources=6.1.0=pyhd8ed1ab_0
- importlib_metadata=6.8.0=hd8ed1ab_0
- importlib_resources=6.1.0=pyhd8ed1ab_0
- iniconfig=2.0.0=pyhd8ed1ab_0
- ipykernel=6.25.2=pyh2140261_0
- ipython=8.12.2=pyh41d4057_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.8.0=pyhd8ed1ab_0
- isoduration=20.11.0=pyhd8ed1ab_0
- jedi=0.19.1=pyhd8ed1ab_0
- jinja2=3.1.2=pyhd8ed1ab_1
- jmespath=1.0.1=pyhd8ed1ab_0
- joblib=1.3.2=pyhd8ed1ab_0
- json5=0.9.14=pyhd8ed1ab_0
- jsonpatch=1.33=pyhd8ed1ab_0
- jsonpointer=2.4=py38h578d9bd_3
- jsonschema=4.19.1=pyhd8ed1ab_0
- jsonschema-specifications=2023.7.1=pyhd8ed1ab_0
- jsonschema-with-format-nongpl=4.19.1=pyhd8ed1ab_0
- jupyter=1.0.0=pyhd8ed1ab_10
- jupyter-lsp=2.2.0=pyhd8ed1ab_0
- jupyter_client=8.3.1=pyhd8ed1ab_0
- jupyter_console=6.6.3=pyhd8ed1ab_0
- jupyter_core=5.3.2=py38h578d9bd_0
- jupyter_events=0.7.0=pyhd8ed1ab_2
- jupyter_server=2.7.3=pyhd8ed1ab_1
- jupyter_server_terminals=0.4.4=pyhd8ed1ab_1
- jupyterlab=4.0.6=pyhd8ed1ab_0
- jupyterlab_pygments=0.2.2=pyhd8ed1ab_0
- jupyterlab_server=2.25.0=pyhd8ed1ab_0
- jupyterlab_widgets=1.1.7=pyhd8ed1ab_0
- kcombu_bss=2023.29.01=h9bf148f_0
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.5=py38h7f3f72f_1
- krb5=1.20.1=h81ceb04_0
- lame=3.100=h166bdaf_1003
- lazy_import=0.2.2=pyhd8ed1ab_0
- lcms2=2.15=haa2dc70_1
- ld_impl_linux-64=2.40=h41732ed_0
- lerc=4.0.0=h27087fc_0
- libabseil=20230802.1=cxx17_h59595ed_0
- libaec=1.1.2=h59595ed_1
- libarchive=3.6.2=h3d51595_0
- libblas=3.9.0=18_linux64_openblas
- libbrotlicommon=1.1.0=hd590300_1
- libbrotlidec=1.1.0=hd590300_1
- libbrotlienc=1.1.0=hd590300_1
- libcap=2.69=h0f662aa_0
- libcblas=3.9.0=18_linux64_openblas
- libclang=16.0.3=default_h1cdf331_2
- libclang13=16.0.3=default_h4d60ac6_2
- libcrc32c=1.1.2=h9c3ff4c_0
- libcups=2.3.3=h36d4200_3
- libcurl=8.1.2=h409715c_0
- libdeflate=1.18=h0b41bf4_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=h516909a_1
- libevent=2.1.12=hf998b51_1
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h7f98852_5
- libflac=1.4.3=h59595ed_0
- libgcc-ng=13.2.0=h807b86a_2
- libgcrypt=1.10.1=h166bdaf_0
- libgd=2.3.3=hfa28ad5_6
- libgfortran-ng=13.2.0=h69a702a_2
- libgfortran5=13.2.0=ha4646dd_2
- libglib=2.78.0=hebfc3b9_0
- libgomp=13.2.0=h807b86a_2
- libgpg-error=1.47=h71f35ed_0
- libgrpc=1.58.1=h30d5116_0
- libhwloc=2.8.0=h32351e8_1
- libiconv=1.17=h166bdaf_0
- libjpeg-turbo=2.1.5.1=hd590300_1
- liblapack=3.9.0=18_linux64_openblas
- liblapacke=3.9.0=18_linux64_openblas
- liblief=0.12.3=h27087fc_0
- libllvm16=16.0.3=hbf9e925_1
- libnetcdf=4.9.2=nompi_hdf9a29f_104
- libnghttp2=1.52.0=h61bc06f_0
- libnsl=2.0.0=hd590300_1
- libogg=1.3.4=h7f98852_1
- libopenblas=0.3.24=pthreads_h413a1c8_0
- libopus=1.3.1=h7f98852_1
- libpng=1.6.39=h753d276_0
- libpq=15.3=hbcd7760_1
- libprotobuf=4.24.3=hf27288f_0
- librsvg=2.56.0=h5cef280_0
- libsndfile=1.2.2=hc60ed4a_1
- libsodium=1.0.18=h36c2ea0_1
- libsqlite=3.43.0=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_2
- libsystemd0=254=h3516f8a_0
- libtiff=4.5.1=h8b53f26_1
- libtool=2.4.7=h27087fc_0
- libuuid=2.38.1=h0b41bf4_0
- libvorbis=1.3.7=h9c3ff4c_0
- libwebp=1.3.1=hbf2b3c1_0
- libwebp-base=1.3.1=hd590300_0
- libxcb=1.13=h7f98852_1004
- libxkbcommon=1.5.0=h79f4944_1
- libxml2=2.10.4=hfdac1af_0
- libzip=1.10.1=h2629f0a_3
- libzlib=1.2.13=hd590300_5
- logmuse=0.2.6=pyh8c360ce_0
- lomap2=2.3.1=pyhd8ed1ab_0
- lz4-c=1.9.4=hcb278e6_0
- lzo=2.10=h516909a_1000
- markdown-it-py=3.0.0=pyhd8ed1ab_0
- markupsafe=2.1.3=py38h01eb140_1
- matplotlib=3.7.3=py38h578d9bd_0
- matplotlib-base=3.7.3=py38h58ed7fa_0
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- mda-xdrlib=0.2.0=pyhd8ed1ab_0
- mdanalysis=2.4.3=py38hbea5b78_0
- mdtraj=1.9.9=py38h028faf2_0
- mdurl=0.1.0=pyhd8ed1ab_0
- mistune=3.0.1=pyhd8ed1ab_0
- mmtf-python=1.1.3=pyhd8ed1ab_0
- more-itertools=10.1.0=pyhd8ed1ab_0
- mpg123=1.32.3=h59595ed_0
- mrcfile=1.4.3=pyhd8ed1ab_0
- msgpack-python=1.0.6=py38h7f3f72f_0
- multidict=6.0.4=py38h1de0b5d_0
- munkres=1.0.7=py_1
- mysql-common=8.0.33=hf1915f5_4
- mysql-libs=8.0.33=hca2cd23_4
- nbclient=0.8.0=pyhd8ed1ab_0
- nbconvert=7.9.2=pyhd8ed1ab_0
- nbconvert-core=7.9.2=pyhd8ed1ab_0
- nbconvert-pandoc=7.9.2=pyhd8ed1ab_0
- nbformat=5.9.2=pyhd8ed1ab_0
- ncurses=6.4=hcb278e6_0
- nest-asyncio=1.5.6=pyhd8ed1ab_0
- netcdf-fortran=4.6.1=nompi_h4f3791c_100
- netcdf4=1.6.4=nompi_py38hdfa7aa7_100
- networkx=3.1=pyhd8ed1ab_0
- nglview=1.1.7=py_0
- nomkl=1.0=h5ca1d4c_0
- notebook=7.0.4=pyhd8ed1ab_0
- notebook-shim=0.2.3=pyhd8ed1ab_0
- nspr=4.35=h27087fc_0
- nss=3.94=h1d7d5a4_0
- numexpr=2.8.4=py38hb2af0cf_101
- oauth2client=4.1.3=py_0
- ocl-icd=2.3.1=h7f98852_0
- ocl-icd-system=1.0.0=1
- openff-amber-ff-ports=0.0.3=pyh6c4a22f_0
- openff-forcefields=2023.08.0=pyh1a96a4e_0
- openff-interchange=0.2.3=pyhd8ed1ab_1
- openff-interchange-base=0.2.3=pyhd8ed1ab_1
- openff-toolkit=0.12.1=pyhd8ed1ab_2
- openff-toolkit-base=0.12.1=pyhd8ed1ab_2
- openff-units=0.2.0=pyh1a96a4e_2
- openff-utilities=0.1.8=pyh1a96a4e_0
- openjpeg=2.5.0=hfec8fc6_2
- openmm=8.0.0=py38hcbc924a_3
- openssl=3.1.3=hd590300_0
- overrides=7.4.0=pyhd8ed1ab_0
- packaging=23.2=pyhd8ed1ab_0
- packmol=20.010=h86c2bf4_0
- pandas=2.0.3=py38h01efb38_1
- pandoc=3.1.3=h32600fe_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- panedr=0.7.2=pyhd8ed1ab_0
- pango=1.50.14=heaa33ce_1
- paramiko=3.3.1=pyhd8ed1ab_0
- parmed=4.1.0=py38h8dc9893_0
- parso=0.8.3=pyhd8ed1ab_0
- patch=2.7.6=h7f98852_1002
- patchelf=0.17.2=h58526e2_0
- patsy=0.5.3=pyhd8ed1ab_0
- pbr=5.11.1=pyhd8ed1ab_0
- pcre2=10.40=hc3806b6_0
- pdbfixer=1.9=pyh1a96a4e_0
- peppy=0.35.7=pyhd8ed1ab_0
- perl=5.32.1=4_hd590300_perl5
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=9.5.0=py38h961100d_0
- pint=0.21=pyhd8ed1ab_0
- pip=23.2.1=pyhd8ed1ab_0
- pixman=0.42.2=h59595ed_0
- pkginfo=1.9.6=pyhd8ed1ab_0
- pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
- plac=1.4.0=pyhd8ed1ab_0
- platformdirs=3.11.0=pyhd8ed1ab_0
- pluggy=1.3.0=pyhd8ed1ab_0
- ply=3.11=py_1
- pooch=1.7.0=pyhd8ed1ab_4
- prettytable=3.9.0=pyhd8ed1ab_0
- prometheus_client=0.17.1=pyhd8ed1ab_0
- prompt-toolkit=3.0.39=pyha770c72_0
- prompt_toolkit=3.0.39=hd8ed1ab_0
- protobuf=4.24.3=py38hf14ab21_0
- psutil=5.9.5=py38h01eb140_1
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pulp=2.7.0=py38h578d9bd_1
- pulseaudio-client=16.1=hb77b528_5
- pure_eval=0.2.2=pyhd8ed1ab_0
- py=1.11.0=pyh6c4a22f_0
- py-cpuinfo=9.0.0=pyhd8ed1ab_0
- py-lief=0.12.3=py38hfa26641_0
- py3dmol=2.0.4=pyhd8ed1ab_0
- pyasn1=0.5.0=pyhd8ed1ab_0
- pyasn1-modules=0.3.0=pyhd8ed1ab_0
- pycairo=1.25.0=py38h1a1917b_1
- pycosat=0.6.6=py38h01eb140_0
- pycparser=2.21=pyhd8ed1ab_0
- pydantic=1.10.13=py38h01eb140_0
- pydot=1.4.2=py38h578d9bd_4
- pyedr=0.7.2=pyhd8ed1ab_0
- pygments=2.16.1=pyhd8ed1ab_0
- pygtail=0.14.0=pyhd8ed1ab_0
- pynacl=1.5.0=py38h01eb140_3
- pyopenssl=23.2.0=pyhd8ed1ab_1
- pyparsing=3.1.1=pyhd8ed1ab_0
- pyqt=5.15.9=py38hffdaa6c_5
- pyqt5-sip=12.12.2=py38h17151c0_5
- pysftp=0.2.9=py_1
- pysocks=1.7.1=pyha2e5f31_6
- pytables=3.8.0=py38hf59a973_1
- pytest=7.4.2=pyhd8ed1ab_0
- python=3.8.17=he550d4f_0_cpython
- python-constraint=1.4.0=py_0
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-fastjsonschema=2.18.1=pyhd8ed1ab_0
- python-irodsclient=1.1.8=pyhd8ed1ab_0
- python-json-logger=2.0.7=pyhd8ed1ab_0
- python-libarchive-c=5.0=py38h578d9bd_2
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.8=4_cp38
- pytng=0.3.0=py38hcf6129a_0
- pytz=2023.3.post1=pyhd8ed1ab_0
- pyu2f=0.1.5=pyhd8ed1ab_0
- pyyaml=6.0.1=py38h01eb140_1
- pyzmq=25.1.1=py38h509eb50_1
- qt-main=5.15.8=haa3a1c2_11
- qtconsole-base=5.4.4=pyha770c72_0
- qtpy=2.4.0=pyhd8ed1ab_0
- ratelimiter=1.2.0=pyhd8ed1ab_1003
- rdkit=2022.09.5=py38h6600b1c_0
- re2=2023.03.02=h8c504da_0
- readline=8.2=h8228510_1
- referencing=0.30.2=pyhd8ed1ab_0
- reportlab=4.0.4=py38h01eb140_0
- requests=2.31.0=pyhd8ed1ab_0
- retry=0.9.2=py_0
- rfc3339-validator=0.1.4=pyhd8ed1ab_0
- rfc3986-validator=0.1.1=pyh9f0ad1d_0
- rich=13.6.0=pyhd8ed1ab_0
- ripgrep=13.0.0=h2f28480_2
- rlpycairo=0.2.0=pyhd8ed1ab_0
- rpds-py=0.10.4=py38h0cc4f7c_0
- rsa=4.9=pyhd8ed1ab_0
- ruamel.yaml=0.17.35=py38h01eb140_0
- ruamel.yaml.clib=0.2.7=py38h01eb140_2
- s3transfer=0.7.0=pyhd8ed1ab_0
- scikit-learn=1.3.1=py38ha25d942_1
- seaborn=0.13.0=hd8ed1ab_0
- seaborn-base=0.13.0=pyhd8ed1ab_0
- send2trash=1.8.2=pyh41d4057_0
- setuptools=68.2.2=pyhd8ed1ab_0
- sip=6.7.11=py38h17151c0_1
- sire=2023.2.3=py38h3fd9d12_4
- six=1.16.0=pyh6c4a22f_0
- slacker=0.14.0=py_0
- smart_open=6.4.0=pyhd8ed1ab_0
- smirnoff99frosst=1.1.0=pyh44b312d_0
- smmap=3.0.5=pyh44b312d_0
- snakemake=7.8.5=hdfd78af_0
- snakemake-minimal=7.8.5=pyhdfd78af_0
- snappy=1.1.10=h9fff704_0
- sniffio=1.3.0=pyhd8ed1ab_0
- soupsieve=2.5=pyhd8ed1ab_1
- sqlalchemy=2.0.21=py38h01eb140_0
- stack_data=0.6.2=pyhd8ed1ab_0
- statsmodels=0.14.0=py38h7f0c24c_2
- stone=3.3.1=pyhd8ed1ab_0
- stopit=1.1.2=py_0
- tabulate=0.8.10=pyhd8ed1ab_0
- tbb=2021.8.0=hdb19cb5_0
- terminado=0.17.1=pyh41d4057_0
- threadpoolctl=3.2.0=pyha21a80b_0
- tidynamics=1.1.2=pyhd8ed1ab_0
- tinycss2=1.2.1=pyhd8ed1ab_0
- tk=8.6.13=h2797004_0
- toml=0.10.2=pyhd8ed1ab_0
- tomli=2.0.1=pyhd8ed1ab_0
- toposort=1.10=pyhd8ed1ab_0
- tornado=6.3.3=py38h01eb140_1
- tqdm=4.66.1=pyhd8ed1ab_0
- traitlets=5.11.2=pyhd8ed1ab_0
- types-python-dateutil=2.8.19.14=pyhd8ed1ab_0
- typing-extensions=4.8.0=hd8ed1ab_0
- typing_extensions=4.8.0=pyha770c72_0
- typing_utils=0.1.0=pyhd8ed1ab_0
- ubiquerg=0.6.3=pyhd8ed1ab_0
- unicodedata2=15.1.0=py38h01eb140_0
- uri-template=1.3.0=pyhd8ed1ab_0
- uritemplate=4.1.1=pyhd8ed1ab_0
- urllib3=1.26.17=pyhd8ed1ab_0
- veracitools=0.1.3=py_0
- wcwidth=0.2.8=pyhd8ed1ab_0
- webcolors=1.13=pyhd8ed1ab_0
- webencodings=0.5.1=pyhd8ed1ab_2
- websocket-client=1.6.3=pyhd8ed1ab_0
- wheel=0.41.2=pyhd8ed1ab_0
- widgetsnbextension=3.6.6=pyhd8ed1ab_0
- wrapt=1.15.0=py38h01eb140_1
- xcb-util=0.4.0=h516909a_0
- xcb-util-image=0.4.0=h166bdaf_0
- xcb-util-keysyms=0.4.0=h516909a_0
- xcb-util-renderutil=0.3.9=h166bdaf_0
- xcb-util-wm=0.4.1=h516909a_0
- xkeyboard-config=2.38=h0b41bf4_0
- xmltodict=0.13.0=pyhd8ed1ab_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h7f98852_0
- xorg-libsm=1.2.3=hd9c2040_1000
- xorg-libx11=1.8.4=h0b41bf4_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.10=h7f98852_1003
- xorg-libxt=1.3.0=hd590300_0
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xf86vidmodeproto=2.3.1=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7f98852_2
- yarl=1.9.2=py38h01eb140_0
- yte=1.5.1=pyha770c72_2
- zeromq=4.3.4=h9c3ff4c_1
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=hd590300_5
- zlib-ng=2.0.7=h0b41bf4_0
- zstandard=0.21.0=py38ha98ab4e_1
- zstd=1.5.5=hfc55251_0
- pip:
- abfe-workflow==0.0.1+54.g788eadd.dirty
- alchemlyb==2.0.0
- amberutils==21.0
- argparse==1.4.0
- edgembar==0.2
- gromacs==0.0.0
- jax==0.4.13
- jaxlib==0.4.13
- mdrestraintsgenerator==0.2.1
- ml-dtypes==0.2.0
- mmpbsa-py==16.0
- numpy==1.22.4
- opt-einsum==3.3.0
- packmol-memgen==2023.2.24
- pdb4amber==22.0
- pymbar==4.0.1
- pymsmt==22.0
- pytraj==2.0.6
- sander==22.0
- scipy==1.7.3