mdtraj

Last released May 30, 2024

MDTraj: A modern, open library for the analysis of molecular dynamics trajectories

OpenMM

Last released May 10, 2024

Python wrapper for OpenMM (a C++ MD package)

quadprog

Last released Feb 21, 2024

Quadratic Programming Solver

sphinxcontrib-lunrsearch

Last released Jun 8, 2021

Instant search for Sphinx

sphinxcontrib-autodoc-doxygen

Last released Jun 8, 2021

Doxygen / Sphinx bridge, with autodoc and autosummary

snsmp2

Last released Sep 9, 2017

Spin-network-scaled MP2

msmbuilder

Last released Apr 27, 2017

MSMBuilder: Statistical models for Biomolecular Dynamics

osprey

Last released Sep 8, 2016

|Build Status| |Coverage Status| |PyPi version| [|License|] (https://apache.ac.cn/licenses/LICENSE-2.0) |DOI| [|Documentation|] (http://msmbuilder.org/osprey)

pypatchelf

Last released Mar 31, 2016

A small utility to modify the dynamic linker and RPATH of ELF executables

msmb_theme

Last released Feb 20, 2016

Modification to sphinx_rtd_theme

python-maylinux-demo

Last released Feb 2, 2016

This is a demo package with a compiled C extension.

covar

Last released Oct 12, 2015

Shrinkage covariance estimator for python

pyhmc

Last released Oct 11, 2015

Hybrid Monte Carlo for Python

jupyter-emacskeys

Last released Oct 9, 2015

Emacs-style keybindings for the Jupyter notebook

slidedeck

Last released Feb 17, 2015

Slidedeck: Kickass-beautiful HTML5 slides in markdown

sselogsumexp

Last released Sep 21, 2014

UNKNOWN

peppermint

Last released Jul 2, 2014

peppermint:

figshare

Last released May 18, 2014

Command-line client for figshare API

hdf5pickle

Last released Apr 3, 2014

Pickle Python objects to HDF5 files

simtk.unit

Last released Feb 24, 2014

Units for python

simtk.units

Last released Feb 2, 2014

Units for python

ftz

Last released Jul 29, 2013

ftz: flush denormal numbers in numpy arrays to zero