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Package Name Access Summary Updated
openmm-example-plugin public An example plugin for openmm 2023-06-16
meld-plugin public No Summary 2023-06-16
hdf5-1814 None HDF5 pinned at 1.8.14, for use with Modeller 2023-06-16
autoprotocol public Python library for generating Autoprotocol 2023-06-16
gpy public No Summary 2023-06-16
shiftx2 public SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical shifts for proteins using their structural (PDB) coordinates as input. 2023-06-16
osprey public |Build Status| |PyPi version| |Supported Python versions| |License|\n|Documentation Status| 2023-06-16
paramz public The Parameterization Framework 2023-06-16
nglview public IPython widget to interactively view molecular structures and trajectories. 2023-06-16
openmm-beta public A high performance toolkit for molecular simulation. 2023-06-16
simpletraj public Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD. 2023-06-16
keras public Theano-based Deep Learning library 2023-06-16
deepchem public Deep-learning models for Drug Discovery and Quantum Chemistry 2023-06-16
theano public Optimizing compiler for evaluating mathematical expressions on CPUs and GPUs. 2023-06-16
cpptraj public Biomolecular simulation trajectory/data analysis. 2023-06-16
sphinxcontrib-autodoc_doxygen public Doxygen / Sphinx bridge, with autodoc and autosummary 2023-06-16
arpack public ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. 2023-06-16
msinttypes public No Summary 2023-06-16
cvxcanon public A low-level library to perform the matrix building step in cvxpy, a convex optimization modeling software. 2023-06-16
alchemy public Alchemical tools for OpenMM 2023-06-16
repex None OpenMM replica exchange utilities 2023-06-16
msmtools None Tools for estimating and analyzing Markov state models 2023-06-16
eigen3 None C++ template library for linear algebra 2023-06-16
modeller None Comparative modeling by satisfaction of spatial restraints 2023-06-16
pint None Physical quantities module 2023-06-16
thermotools public Lowlevel implementation toolbox for the analyis of multi-ensemble calculations 2023-06-16
openbabel public A chemical toolbox designed to speak the many languages of chemical data 2023-06-16
torsionfit-dev public A toolkit for Bayesian torsion parameterization for molecular mechanics forcefields. 2023-06-16
ipynbtest public No Summary 2023-06-16
ccache public ccache is a compiler cache. It speeds up recompilation by caching previous compilations and detecting when the same compilation is being done again. 2023-06-16
autograd public Efficiently computes derivatives of numpy code. 2023-06-16
progressbar public No Summary 2023-06-16
hmmlearn public Hidden Markov Models in Python with scikit-learn like API 2023-06-16
nose-timer public A timer plugin for nosetests 2023-06-16
doxygen public Doxygen is the de facto standard tool for generating documentation from annotated C++ sources 2023-06-16
m4 public GNU M4 is an implementation of the traditional Unix macro processor. 2023-06-16
boost None Boost provides free peer-reviewed portable C++ source libraries. 2023-06-16
flex public Flex is a fast lexical analyser generator. 2023-06-16
bison public Bison, is a parser generator that is part of the GNU Project 2023-06-16
swig public A tool that easily allows a developer to wrap C/C++ functions for use with scripting languages. 2023-06-16
bhmm None Bayesian hidden Markov models for analysis of single-molecule trajectory data 2023-06-16
termcolor public ANSII Color formatting for output in terminal. 2023-06-16
pyublas None Seamless Numpy-UBlas interoperability 2023-06-16
appdirs None A small Python module for determining appropriate platform-specific dirs, e.g. a "user data dir". 2023-06-16
pytools None A collection of tools for Python 2023-06-16
cvxopt None Convex optimization package 2023-06-16
behave None behave is behaviour-driven development, Python style 2023-06-16
parse_type None Simplifies to build parse types based on the parse module 2023-06-16
covar public covar: shrinkage covariance estimation 2023-06-16
sh None Python subprocess interface 2023-06-16

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