CmdStanPy is a lightweight interface to Stan for Python users which provides the necessary objects and functions to compile a Stan program and fit the model to data using CmdStan.

columbia-data-science-bootcamp

Worked notebooks and slides from the data science bootcamp put on by Columbia University in Winter of 2018

cpython

The Python programming language

dcdfort

Modern Fortran toolkit for reading in and analyzing DCD simulation trajectories output from LAMMPS

diffusion-map

Comparison of principal components analysis with diffusion maps on toy data sets and a molecular simulation trajectory

docs

Online documentation for Stan language and platform

dwm

fastai-v3

Starter app for fastai v3 model deployment on Render

fastpages

An easy to use blogging platform, with enhanced support for Jupyter Notebooks.

flask-project

Flask server with a Github workflow that uses Ansible to continuosly update a deployment

free-energy-fit

Fits free energy data

go-tour

gruvbox

Retro groove color scheme for Vim

insight

Chrome extension to help users find new communities on Reddit

json-fortran

A Fortran 2008 JSON API

lennardjones

Lennard Jones Molecular Dynamics in C++

libgmxcpp

C++ toolkit for use in reading in and analyzing Gromacs files

libgmxfort

Modern Fortran toolkit for analyzing GROMACS simulations

libxdrfile

Fork of library used in reading xtc files from GROMACS simulations

lopls

L-OPLS modifications of the OPLS force field, implemented for GROMACS

machinelearning

Machine learning exercises done in Python

matplotlib

matplotlib: plotting with Python

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