omnia / packages

Package Name Access Summary Updated
molpx public No Summary 2018-11-16
openmm None A high performance toolkit for molecular simulation. 2018-11-14
openpathsampling public OpenPathSampling: A python package to do path sampling simulations 2018-11-13
svgwrite None A Python library to create SVG drawings. 2018-11-13
openmmtools None An OpenMM toolkit: test systems, integrators, and alchemical support 2018-10-17
yank None No Summary 2018-10-09
pybtex-docutils None A docutils backend for pybtex. 2018-10-05
msmexplorer public Data visualizations for biomolecular dynamics 2018-10-05
quadprog public Quadratic Programming Solver 2018-10-05
munkres None munkres algorithm for the Assignment Problem 2018-10-05
m2r public No Summary 2018-10-05
sphinxcontrib-lunrsearch public Instant search for Sphinx 2018-10-05
scripttest None scripttest is a library to help you test your interactive command-line applications. 2018-10-05
cclib None cclib: parsers and algorithms for computational chemistry 2018-10-05
pybtex None A BibTeX-compatible bibliography processor in Python 2018-10-05
schema None Simple data validation library 2018-10-05
smarty public No Summary 2018-10-05
algopy None ALGOPY: Taylor Arithmetic Computation and Algorithmic Differentiation 2018-10-05
oset None Ordered Set. 2018-10-05
hmmlearn public Hidden Markov Models in Python with scikit-learn like API 2018-10-05
openmmtests public A high performance toolkit for molecular simulation. 2018-10-01
ambertools public AmberTools 2018-08-19
osprey public |Build Status| |PyPi version| |Supported Python versions| |License|\n|Documentation Status| 2018-08-10
pygraphviz public Python interface to Graphviz 2018-08-10
clusterutils None Tools for use in compute cluster environments. 2018-08-10
mdentropy public Analyze correlated motions in MD trajectories with only a few lines of Python. 2018-08-10
openbabel public A chemical toolbox designed to speak the many languages of chemical data 2018-08-10
hdf5-1820 public HDF5 pinned at 1.8.20, for use with Modeller 2018-08-10
modeller None Comparative modeling by satisfaction of spatial restraints 2018-08-10
skorch public No Summary 2018-08-06
perses public No Summary 2018-07-09
cuda75 public No Summary 2018-06-27
cuda80 public No Summary 2018-06-27
cuda92 public No Summary 2018-06-27
cuda91 public No Summary 2018-06-27
cuda90 public No Summary 2018-06-27
openmmforcefields public No Summary 2018-06-15
fahmunge public No Summary 2018-06-09
iapetus public No Summary 2018-05-30
openmm-cuda75 public A high performance toolkit for molecular simulation. 2018-03-24
parmed None A package for parsing, interconverting, manipulating, and simulating biomolecular simulations with many packages 2018-03-23
protons public No Summary 2018-03-23
solvationtoolkit public No Summary 2018-03-23
openforcefield public No Summary 2018-03-23
openmoltools None No Summary 2018-03-23
packmol None Packing Optimization for Molecular Dynamics Simulations 2018-03-07
forcebalance public Systematic force field optimization 2018-01-29
pymbar None Python implementation of the multistate Bennett acceptance ratio (MBAR) method 2017-12-12
openmm-setup public An application for configuring and running simulations with OpenMM 2017-12-07
pdbfixer None PDBFixer fixes problems in PDB files to prepare them for molecular simulation. 2017-12-06
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