Pinned Repositories
bayes_parameter_estimation_for_blog
Storage repo for jupyter notebook and data file for Bayesian parameter estimation blog post at brycesrandomwalk.com
Bayesian-Modelling-in-Python
A python tutorial on bayesian modeling techniques (PyMC3)
blog4_notebook_resampling
notebook and dataset for Bryce's Random Walk blog 4 on resampling methods
blog5_notebook_language_processing
container for notebook on natural language processing and web-scraping for blog 5
blueface
A minimalist Jekyll theme.
bmanubay.github.io
bmanubay.github.io_deprecated
:triangular_ruler: A flexible two-column Jekyll theme. Perfect for personal sites, blogs, and portfolios hosted on GitHub or your own server.
Bryces-prelim-exam
Git repo for me to organize my candidacy exam materials
Doing_bayesian_data_analysis
Python/PyMC3 versions of the programs described in Doing bayesian data analysis by John K. Kruschke
MultiFidelity_Bayes
Manuscript for first EAGER grant paper on Bayesian inference driven force field parameterization using a multi-fidelity likelihood calculation algorithm
bmanubay's Repositories
bmanubay/MultiFidelity_Bayes
Manuscript for first EAGER grant paper on Bayesian inference driven force field parameterization using a multi-fidelity likelihood calculation algorithm
bmanubay/bayes_parameter_estimation_for_blog
Storage repo for jupyter notebook and data file for Bayesian parameter estimation blog post at brycesrandomwalk.com
bmanubay/Bayesian-Modelling-in-Python
A python tutorial on bayesian modeling techniques (PyMC3)
bmanubay/blog4_notebook_resampling
notebook and dataset for Bryce's Random Walk blog 4 on resampling methods
bmanubay/blog5_notebook_language_processing
container for notebook on natural language processing and web-scraping for blog 5
bmanubay/blueface
A minimalist Jekyll theme.
bmanubay/bmanubay.github.io
bmanubay/bmanubay.github.io_deprecated
:triangular_ruler: A flexible two-column Jekyll theme. Perfect for personal sites, blogs, and portfolios hosted on GitHub or your own server.
bmanubay/Bryces-prelim-exam
Git repo for me to organize my candidacy exam materials
bmanubay/government.github.com
Gather, curate, and feature stories of public servants and civic hackers using GitHub as part of their open government innovations
bmanubay/gptools
Gaussian processes with arbitrary derivative constraints and predictions.
bmanubay/GPYgradients
bmanubay/hydejack
"Best Jekyll Theme by a Mile"
bmanubay/hydejack-starter-kit
A quicker, cleaner way to get started blogging with Hydejack.
bmanubay/livecomsjournal.github.io
GitHub Pages site for the Living Journal of Computational Molecular Science
bmanubay/LJ-neat-liquids
Repo for Bayesian inference for LJ parameters of neat liquid organics
bmanubay/LJ-neat-liquifd
Repo for Bayesian inference for LJ parameters of neat liquid organics
bmanubay/MBAR_cyclohexane_test_bed
bmanubay/numpy
Numpy main repository
bmanubay/open-forcefield-data
Datasets for open forcefield parameterization and development
bmanubay/open-forcefield-tools
Tools for open forcefield development
bmanubay/openforcefield
Open Forcefield Toolkit: http://open-forcefield-toolkit.readthedocs.io
bmanubay/physical-validation
Physical validation of molecular simulations
bmanubay/Presentations
Research presentations
bmanubay/Probabilistic-Programming-and-Bayesian-Methods-for-Hackers
aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)
bmanubay/smarty
SMARTS-based atom typing exploration tool
bmanubay/smirff99Frosst
A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRFF format
bmanubay/smirnoff-amortized-inference-testbed
Test container to display in progress machinery for using amortized inference to refit parameters from the `smirnoff99Frosst` forcefield
bmanubay/Study
books、papers and blogs
bmanubay/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.