Installation¶
You can install BICePs from
PyPI using
pip:
$ pip install biceps
Coming soon:
$ conda install -c conda-forge biceps
Conda is a cross-platform package manager built especially for scientific
python. It will install biceps along with all dependencies from a
pre-compiled binary. If you don't have Python or the Anaconda package
manager, we recommend starting with the
Anaconda Scientific Python distribution, which comes
pre-packaged with many of the core scientific python packages that biceps
uses (see below), or with the
Miniconda Python distribution, which is a bare-bones Python installation.
GitHub Take a look at our repository, peruse through our source code and submit issues.
Dependencies¶
Testing Your Installation¶
Coming soon.
Versions¶
-
Version 1.0: This release is non-production ready. This release contains archived scripts for various systems.
- Version 2.0: Redesigned/generalized source
code with convergence submodule for checking MCMC trajectories. Optional
multiprocessing functionality for running simulations for each lambda value
in parallel. Additional experimental observables include hydrogen–deuterium
exchange (HDX).
$ pip install biceps
Coming soon:
$ conda install -c conda-forge biceps
Conda is a cross-platform package manager built especially for scientific
python. It will install biceps along with all dependencies from a
pre-compiled binary. If you don't have Python or the Anaconda package
manager, we recommend starting with the
Anaconda Scientific Python distribution, which comes
pre-packaged with many of the core scientific python packages that biceps
uses (see below), or with the
Miniconda Python distribution, which is a bare-bones Python installation.
GitHub Take a look at our repository, peruse through our source code and submit issues.
Dependencies¶
Testing Your Installation¶
Coming soon.
Versions¶
- Version 1.0: This release is non-production ready. This release contains archived scripts for various systems.
- Version 2.0: Redesigned/generalized source code with convergence submodule for checking MCMC trajectories. Optional multiprocessing functionality for running simulations for each lambda value in parallel. Additional experimental observables include hydrogen–deuterium exchange (HDX).