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# state-sampling | ||
Python code for finding single equlibirated states and analysis of GPCR data | ||
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Written by Oliver Fleetwood 2019-2020. |
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__all__ = ['statesampling'] |
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name: py37 | ||
channels: | ||
- omnia | ||
- conda-forge | ||
- defaults | ||
dependencies: | ||
- _libgcc_mutex=0.1=main | ||
- blas=1.0=mkl | ||
- blosc=1.16.3=hd408876_0 | ||
- bzip2=1.0.8=h7b6447c_0 | ||
- ca-certificates=2019.6.16=hecc5488_0 | ||
- certifi=2019.6.16=py36_1 | ||
- dataclasses=0.6=py_0 | ||
- hdf5=1.10.4=hb1b8bf9_0 | ||
- intel-openmp=2019.4=243 | ||
- joblib=0.13.2=py36_0 | ||
- libedit=3.1.20181209=hc058e9b_0 | ||
- libffi=3.2.1=hd88cf55_4 | ||
- libgcc-ng=9.1.0=hdf63c60_0 | ||
- libgfortran-ng=7.3.0=hdf63c60_0 | ||
- libstdcxx-ng=9.1.0=hdf63c60_0 | ||
- lz4-c=1.8.1.2=h14c3975_0 | ||
- lzo=2.10=h49e0be7_2 | ||
- mdtraj=1.9.1=py36_0 | ||
- mkl=2019.4=243 | ||
- mkl-service=2.0.2=py36h7b6447c_0 | ||
- mkl_fft=1.0.14=py36ha843d7b_0 | ||
- mkl_random=1.0.2=py36hd81dba3_0 | ||
- mock=3.0.5=py36_0 | ||
- ncurses=6.1=he6710b0_1 | ||
- numexpr=2.7.0=py36h9e4a6bb_0 | ||
- numpy=1.16.4=py36h7e9f1db_0 | ||
- numpy-base=1.16.4=py36hde5b4d6_0 | ||
- openssl=1.1.1c=h516909a_0 | ||
- pandas=0.25.1=py36he6710b0_0 | ||
- pip=19.2.2=py36_0 | ||
- pytables=3.5.2=py36h71ec239_1 | ||
- python=3.6.9=h265db76_0 | ||
- python-dateutil=2.8.0=py36_0 | ||
- pytz=2019.2=py_0 | ||
- readline=7.0=h7b6447c_5 | ||
- scikit-learn=0.21.2=py36hd81dba3_0 | ||
- scipy=1.3.1=py36h7c811a0_0 | ||
- setuptools=41.0.1=py36_0 | ||
- six=1.12.0=py36_0 | ||
- snappy=1.1.7=hbae5bb6_3 | ||
- sqlite=3.29.0=h7b6447c_0 | ||
- tk=8.6.8=hbc83047_0 | ||
- wheel=0.33.4=py36_0 | ||
- xz=5.2.4=h14c3975_4 | ||
- zlib=1.2.11=h7b6447c_3 | ||
- zstd=1.3.7=h0b5b093_0 | ||
prefix: /home/oliverfl/anaconda3/envs/py37 | ||
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# About | ||
Code to reproduce results in an upcoming paper. | ||
Reference to come upon publication |
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