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openmm-example-plugin
|
public |
An example plugin for openmm
|
2023-06-16 |
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meld-plugin
|
public |
No Summary
|
2023-06-16 |
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hdf5-1814
|
None |
HDF5 pinned at 1.8.14, for use with Modeller
|
2023-06-16 |
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autoprotocol
|
public |
Python library for generating Autoprotocol
|
2023-06-16 |
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gpy
|
public |
No Summary
|
2023-06-16 |
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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 |
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osprey
|
public |
|Build Status| |PyPi version| |Supported Python versions| |License|\n|Documentation Status|
|
2023-06-16 |
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paramz
|
public |
The Parameterization Framework
|
2023-06-16 |
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nglview
|
public |
IPython widget to interactively view molecular structures and trajectories.
|
2023-06-16 |
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openmm-beta
|
public |
A high performance toolkit for molecular simulation.
|
2023-06-16 |
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simpletraj
|
public |
Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD.
|
2023-06-16 |
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keras
|
public |
Theano-based Deep Learning library
|
2023-06-16 |
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deepchem
|
public |
Deep-learning models for Drug Discovery and Quantum Chemistry
|
2023-06-16 |
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theano
|
public |
Optimizing compiler for evaluating mathematical expressions on CPUs and GPUs.
|
2023-06-16 |
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cpptraj
|
public |
Biomolecular simulation trajectory/data analysis.
|
2023-06-16 |
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sphinxcontrib-autodoc_doxygen
|
public |
Doxygen / Sphinx bridge, with autodoc and autosummary
|
2023-06-16 |
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arpack
|
public |
ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
|
2023-06-16 |
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msinttypes
|
public |
No Summary
|
2023-06-16 |
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cvxcanon
|
public |
A low-level library to perform the matrix building step in cvxpy, a convex optimization modeling software.
|
2023-06-16 |
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alchemy
|
public |
Alchemical tools for OpenMM
|
2023-06-16 |
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repex
|
None |
OpenMM replica exchange utilities
|
2023-06-16 |
|
msmtools
|
None |
Tools for estimating and analyzing Markov state models
|
2023-06-16 |
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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 |
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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 |
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ipynbtest
|
public |
No Summary
|
2023-06-16 |
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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 |
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autograd
|
public |
Efficiently computes derivatives of numpy code.
|
2023-06-16 |
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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 |
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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 |
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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 |
