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requirements_pip.txt
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requirements_pip.txt
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absl-py @ file:///home/conda/feedstock_root/build_artifacts/absl-py_1623774798911/work
aiohttp @ file:///home/conda/feedstock_root/build_artifacts/aiohttp_1623682244451/work
alabaster==0.7.12
alembic @ file:///home/conda/feedstock_root/build_artifacts/alembic_1622150326904/work
appdirs @ file:///home/conda/feedstock_root/build_artifacts/appdirs_1603108395799/work
astor @ file:///home/conda/feedstock_root/build_artifacts/astor_1593610464257/work
astunparse @ file:///home/conda/feedstock_root/build_artifacts/astunparse_1610696312422/work
async-timeout==3.0.1
attrs @ file:///home/conda/feedstock_root/build_artifacts/attrs_1620387926260/work
Babel @ file:///home/conda/feedstock_root/build_artifacts/babel_1619719576210/work
backcall==0.2.0
backports.functools-lru-cache @ file:///home/conda/feedstock_root/build_artifacts/backports.functools_lru_cache_1618230623929/work
biopandas @ file:///home/conda/feedstock_root/build_artifacts/biopandas_1596868292228/work
biopython @ file:///home/conda/feedstock_root/build_artifacts/biopython_1622747233620/work
blinker==1.4
bokeh==2.4.0
brotlipy==0.7.0
cached-property @ file:///home/conda/feedstock_root/build_artifacts/cached_property_1615209429212/work
cachetools @ file:///home/conda/feedstock_root/build_artifacts/cachetools_1619593780156/work
catboost @ https://pypi.org/packages/cp38/c/catboost/catboost-0.26.1-cp38-none-manylinux1_x86_64.whl
certifi==2021.5.30
cffi @ file:///home/conda/feedstock_root/build_artifacts/cffi_1625835293160/work
cftime @ file:///home/conda/feedstock_root/build_artifacts/cftime_1621553714314/work
chardet @ file:///home/conda/feedstock_root/build_artifacts/chardet_1610093490430/work
charset-normalizer @ file:///home/conda/feedstock_root/build_artifacts/charset-normalizer_1626371162869/work
chemprop @ file:///home/conda/feedstock_root/build_artifacts/chemprop_1627453600984/work
click @ file:///home/conda/feedstock_root/build_artifacts/click_1621503718520/work
cliff @ file:///home/conda/feedstock_root/build_artifacts/cliff_1622119770880/work
cloudpickle @ file:///home/conda/feedstock_root/build_artifacts/cloudpickle_1598400192773/work
cmaes @ file:///home/conda/feedstock_root/build_artifacts/cmaes_1613785714721/work
cmd2 @ file:///home/conda/feedstock_root/build_artifacts/cmd2_1625509081997/work
colorama @ file:///home/conda/feedstock_root/build_artifacts/colorama_1602866480661/work
colorlog==6.4.1
conda-pack @ file:///home/shenchao/conda-pack-master.zip
ConfigArgParse==1.5.2
cryptography @ file:///home/conda/feedstock_root/build_artifacts/cryptography_1616851476134/work
cycler==0.10.0
cytoolz==0.11.0
dask @ file:///home/conda/feedstock_root/build_artifacts/dask-core_1629497402825/work
dataclasses @ file:///home/conda/feedstock_root/build_artifacts/dataclasses_1628958434797/work
decorator==4.4.2
dgl==0.7.0
dgllife==0.2.8
distributed @ file:///tmp/build/80754af9/distributed_1630629268815/work
docutils @ file:///home/conda/feedstock_root/build_artifacts/docutils_1618676255808/work
filelock==3.0.12
Flask @ file:///home/conda/feedstock_root/build_artifacts/flask_1621629915293/work
flatbuffers @ file:///home/conda/feedstock_root/build_artifacts/python-flatbuffers_1617723079010/work
fsspec @ file:///home/conda/feedstock_root/build_artifacts/fsspec_1626188337504/work
future @ file:///home/conda/feedstock_root/build_artifacts/future_1610147327521/work
gast==0.3.3
google-auth @ file:///home/conda/feedstock_root/build_artifacts/google-auth_1629296548061/work
google-auth-oauthlib @ file:///home/conda/feedstock_root/build_artifacts/google-auth-oauthlib_1627588028651/work
google-pasta==0.2.0
googledrivedownloader @ file:///home/shenchao/test/googledrivedownloader-0.4-py2.py3-none-any.whl
greenlet @ file:///home/conda/feedstock_root/build_artifacts/greenlet_1628272065194/work
GridDataFormats==0.5.0
grpcio @ file:///home/conda/feedstock_root/build_artifacts/grpcio_1619796013894/work
gsd @ file:///home/conda/feedstock_root/build_artifacts/gsd_1618454803899/work
h5py @ file:///home/conda/feedstock_root/build_artifacts/h5py_1617739432869/work
HeapDict==1.0.1
hyperopt @ file:///home/conda/feedstock_root/build_artifacts/hyperopt_1602661729544/work
idna @ file:///home/conda/feedstock_root/build_artifacts/idna_1609836280497/work
imagecodecs-lite @ file:///home/conda/feedstock_root/build_artifacts/imagecodecs-lite_1610557095663/work
imageio @ file:///home/conda/feedstock_root/build_artifacts/imageio_1594044661732/work
imagesize==1.2.0
importlib-metadata @ file:///home/conda/feedstock_root/build_artifacts/importlib-metadata_1628897593933/work
ipython==7.28.0
isodate @ file:///home/shenchao/test/isodate-0.6.1-py2.py3-none-any.whl
itsdangerous @ file:///home/conda/feedstock_root/build_artifacts/itsdangerous_1621360792037/work
jedi==0.18.0
Jinja2 @ file:///home/conda/feedstock_root/build_artifacts/jinja2_1621419064915/work
joblib @ file:///home/conda/feedstock_root/build_artifacts/joblib_1612898609989/work
Keras-Preprocessing @ file:///home/conda/feedstock_root/build_artifacts/keras-preprocessing_1610713559828/work
kiwisolver @ file:///home/conda/feedstock_root/build_artifacts/kiwisolver_1610099769230/work
lightgbm @ file:///home/conda/feedstock_root/build_artifacts/lightgbm_1618922572018/work
locket==0.2.0
Mako @ file:///home/conda/feedstock_root/build_artifacts/mako_1629523042001/work
Markdown @ file:///home/conda/feedstock_root/build_artifacts/markdown_1614595805172/work
MarkupSafe @ file:///home/conda/feedstock_root/build_artifacts/markupsafe_1621455677251/work
matplotlib @ file:///home/conda/feedstock_root/build_artifacts/matplotlib-suite_1628881758439/work
matplotlib-inline==0.1.3
MDAnalysis @ file:///home/conda/feedstock_root/build_artifacts/mdanalysis_1629624786895/work
mdtraj @ file:///home/conda/feedstock_root/build_artifacts/mdtraj_1623425400526/work
meeko==0.1.dev3
mkl-fft==1.3.0
mkl-random==1.2.2
mkl-service==2.4.0
mmtf-python==1.1.2
mock @ file:///home/conda/feedstock_root/build_artifacts/mock_1610094566888/work
msgpack @ file:///home/conda/feedstock_root/build_artifacts/msgpack-python_1610121699837/work
multidict @ file:///home/conda/feedstock_root/build_artifacts/multidict_1610319019165/work
mypy-extensions @ file:///home/conda/feedstock_root/build_artifacts/mypy_extensions_1610127166133/work
netCDF4 @ file:///tmp/build/80754af9/netcdf4_1624383287733/work
networkx @ file:///home/conda/feedstock_root/build_artifacts/networkx_1617499744980/work
numexpr @ file:///home/conda/feedstock_root/build_artifacts/numexpr_1614971340455/work
numpy @ file:///tmp/build/80754af9/numpy_and_numpy_base_1626271506491/work
oauthlib @ file:///home/conda/feedstock_root/build_artifacts/oauthlib_1622563202229/work
oddt==0.7
olefile @ file:///home/conda/feedstock_root/build_artifacts/olefile_1602866521163/work
OpenMM==7.6.0
opt-einsum @ file:///home/conda/feedstock_root/build_artifacts/opt_einsum_1617859230218/work
optuna @ file:///home/conda/feedstock_root/build_artifacts/optuna_1628151932842/work
packaging @ file:///home/conda/feedstock_root/build_artifacts/packaging_1625323647219/work
pandas==1.3.2
pandas-flavor==0.2.0
parso==0.8.2
partd @ file:///home/conda/feedstock_root/build_artifacts/partd_1617910651905/work
patsy==0.5.1
pbr @ file:///home/conda/feedstock_root/build_artifacts/pbr_1619460527081/work
pdbfixer==1.7
pexpect==4.8.0
pickleshare==0.7.5
Pillow @ file:///tmp/build/80754af9/pillow_1625655817137/work
pooch @ file:///home/conda/feedstock_root/build_artifacts/pooch_1629815302302/work
prettytable @ file:///home/conda/feedstock_root/build_artifacts/prettytable_1614725168556/work
ProDy==2.1.0
prompt-toolkit==3.0.20
protobuf==3.15.8
psutil @ file:///home/conda/feedstock_root/build_artifacts/psutil_1610127095720/work
ptyprocess==0.7.0
PubChemPy==1.0.4
pyasn1==0.4.8
pyasn1-modules==0.2.7
pycairo==1.20.1
pycparser @ file:///home/conda/feedstock_root/build_artifacts/pycparser_1593275161868/work
pyDeprecate==0.3.1
Pygments @ file:///home/conda/feedstock_root/build_artifacts/pygments_1629119114968/work
PyJWT @ file:///home/conda/feedstock_root/build_artifacts/pyjwt_1619620644068/work
pymongo @ file:///home/conda/feedstock_root/build_artifacts/pymongo_1626207954681/work
pyOpenSSL @ file:///home/conda/feedstock_root/build_artifacts/pyopenssl_1608055815057/work
pyparsing==2.4.7
pyperclip @ file:///home/conda/feedstock_root/build_artifacts/pyperclip_1622337600177/work
pyscreener==0+unknown
PySocks @ file:///home/conda/feedstock_root/build_artifacts/pysocks_1610291447907/work
python-dateutil @ file:///home/conda/feedstock_root/build_artifacts/python-dateutil_1626286286081/work
python-editor==1.0.4
pytorch-lightning==1.4.4
pytz @ file:///home/conda/feedstock_root/build_artifacts/pytz_1612179539967/work
pyu2f @ file:///home/conda/feedstock_root/build_artifacts/pyu2f_1604248910016/work
PyWavelets @ file:///home/conda/feedstock_root/build_artifacts/pywavelets_1607290812047/work
PyYAML==5.4.1
ray==1.6.0
rdflib @ file:///home/shenchao/test/rdflib-6.1.1-py3-none-any.whl
redis==3.5.3
reportlab==3.5.68
requests @ file:///home/conda/feedstock_root/build_artifacts/requests_1626393743643/work
requests-oauthlib @ file:///home/conda/feedstock_root/build_artifacts/requests-oauthlib_1595492159598/work
rsa @ file:///home/conda/feedstock_root/build_artifacts/rsa_1614171254180/work
scikit-image==0.18.3
scikit-learn @ file:///tmp/build/80754af9/scikit-learn_1621370412049/work
scipy @ file:///tmp/build/80754af9/scipy_1618855647378/work
scopy==1.2.5
seaborn @ file:///home/conda/feedstock_root/build_artifacts/seaborn-split_1629095986539/work
six @ file:///home/conda/feedstock_root/build_artifacts/six_1620240208055/work
snowballstemmer @ file:///home/conda/feedstock_root/build_artifacts/snowballstemmer_1611270869511/work
sortedcontainers @ file:///home/conda/feedstock_root/build_artifacts/sortedcontainers_1621217038088/work
Sphinx @ file:///home/conda/feedstock_root/build_artifacts/sphinx_1627331724246/work
sphinxcontrib-applehelp==1.0.2
sphinxcontrib-devhelp==1.0.2
sphinxcontrib-htmlhelp @ file:///home/conda/feedstock_root/build_artifacts/sphinxcontrib-htmlhelp_1621704829796/work
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.3
sphinxcontrib-serializinghtml @ file:///home/conda/feedstock_root/build_artifacts/sphinxcontrib-serializinghtml_1621704833237/work
SQLAlchemy @ file:///home/conda/feedstock_root/build_artifacts/sqlalchemy_1629314936610/work
statsmodels @ file:///home/conda/feedstock_root/build_artifacts/statsmodels_1612273599609/work
stevedore @ file:///home/conda/feedstock_root/build_artifacts/stevedore_1629395109532/work
tables @ file:///home/conda/feedstock_root/build_artifacts/pytables_1610156075390/work
tabulate==0.8.9
tblib @ file:///home/conda/feedstock_root/build_artifacts/tblib_1616261298899/work
tensorboard @ file:///home/conda/feedstock_root/build_artifacts/tensorboard_1629725799390/work/tensorboard-2.4.1-py3-none-any.whl
tensorboard-plugin-wit @ file:///home/conda/feedstock_root/build_artifacts/tensorboard-plugin-wit_1611075653546/work/tensorboard_plugin_wit-1.8.0-py3-none-any.whl
tensorboardX @ file:///home/conda/feedstock_root/build_artifacts/tensorboardx_1628560643999/work
tensorflow @ file:///home/conda/feedstock_root/build_artifacts/tensorflow-split_1619434534109/work/tensorflow_pkg/tensorflow-2.4.1-cp38-cp38-linux_x86_64.whl
tensorflow-addons==0.14.0
tensorflow-estimator @ file:///home/conda/feedstock_root/build_artifacts/tensorflow-estimator_1610655765755/work/tensorflow_estimator-2.4.0-py2.py3-none-any.whl
termcolor==1.1.0
threadpoolctl @ file:///home/conda/feedstock_root/build_artifacts/threadpoolctl_1626092076920/work
tifffile==2019.7.26.2
toolz @ file:///home/conda/feedstock_root/build_artifacts/toolz_1600973991856/work
torch==1.9.0
torch-cluster @ file:///home/shenchao/test/torch_cluster-1.5.9-cp38-cp38-linux_x86_64.whl
torch-geometric @ file:///home/shenchao/test/torch_geometric-2.0.3.tar
torch-scatter @ file:///home/shenchao/test/torch_scatter-2.0.9-cp38-cp38-linux_x86_64.whl
torch-sparse @ file:///home/shenchao/test/torch_sparse-0.6.12-cp38-cp38-linux_x86_64.whl
torch-spline-conv @ file:///home/shenchao/test/torch_spline_conv-1.2.1-cp38-cp38-linux_x86_64.whl
torchmetrics==0.5.0
torchvision==0.2.2
tornado @ file:///home/conda/feedstock_root/build_artifacts/tornado_1610094706440/work
tqdm @ file:///home/conda/feedstock_root/build_artifacts/tqdm_1629742505296/work
traitlets==5.1.0
typed-argument-parser @ file:///home/conda/feedstock_root/build_artifacts/typed-argument-parser_1629068416546/work
typeguard==2.12.1
typing-extensions @ file:///home/conda/feedstock_root/build_artifacts/typing_extensions_1622748266870/work
typing-inspect @ file:///home/conda/feedstock_root/build_artifacts/typing_inspect_1623277617575/work
urllib3 @ file:///home/conda/feedstock_root/build_artifacts/urllib3_1624634538755/work
vina==1.2.2
wcwidth @ file:///home/conda/feedstock_root/build_artifacts/wcwidth_1600965781394/work
Werkzeug @ file:///home/conda/feedstock_root/build_artifacts/werkzeug_1621518206714/work
wrapt @ file:///home/conda/feedstock_root/build_artifacts/wrapt_1610094884173/work
xarray @ file:///home/conda/feedstock_root/build_artifacts/xarray_1627311788418/work
xgboost==1.4.0
yacs @ file:///home/shenchao/test/yacs-0.1.8-py3-none-any.whl
yarl @ file:///home/conda/feedstock_root/build_artifacts/yarl_1625232865745/work
zict==2.0.0
zipp @ file:///home/conda/feedstock_root/build_artifacts/zipp_1625284368454/work