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acml
AMD Core Math Library for x86 and amd64 CPUs
adolc
alglib
amber99sbnmr
amber99sbnmr-ildn
amber99sb_phipsi
amd
Library to order a sparse matrix prior to Cholesky factorization
amdlibm
ann
Data structures and algorithms for both exact and approximate nearest neighbor searching in arbitrarily high dimensions.
armadillo
arpack
Arnoldi package library to solve large scale eigenvalue problems.
arprec
Arbitrary precision float arithmetics and functions
atlas
avogadrolibs
balbes-db
The database for the BALBES automated crystallographic molecular replacement pipeline
beagle
bigdft-abi
blas-atlas
Automatically Tuned Linear Algebra Software BLAS implementation
blas-reference
Basic Linear Algebra Subprograms F77 reference implementations
blastdb
bliss
bmrblib
btf
Algorithm for matrix permutation into block triangular form
buddy
BuDDY - A Binary Decision Diagram Package
calculix-ccx
A Free Software Three-Dimensional Structural Finite Element Program
calculix-cgx
A Free Software Three-Dimensional Structural Finite Element Program
camd
Library to order a sparse matrix prior to Cholesky factorization
cbflib
Library providing a simple mechanism for accessing CBF files and imgCIF files.
cblas-reference
C wrapper interface to the F77 reference BLAS implementation
ccfits
C++ interface for cfitsio
ccif
ccolamd
Constrained column approximate minimum degree ordering algorithm
ccp4-libs
Protein X-ray crystallography toolkit
ccpn-data
cctbx
Computational Crystallography Toolbox
cdd+
Another implementation of the double description method
cddlib
C implementation of the Double Description Method of Motzkin et al.
cdf
Common Data Format I/O library for multi-dimensional data sets
ceres-solver
cfitsio
C and Fortran library for manipulating FITS files
cgcode
cgnsfoam
cgnsfoam is a conversion tool from cgns to openfoam format
cgnslib
The CFD General Notation System (CGNS) is a standard for CFD data.
cgnstools
The CFD General Notation System (CGNS) tools.
Cgraph
A set of C functions that generate PostScript for publication quality scientific plots
chemkit
cholmod
Sparse Cholesky factorization and update/downdate library
cifparse-obj
Provides an object-oriented application interface to information in mmCIF format
clapack
f2c'ed version of LAPACK
clashscore-db
clipper
Object-oriented libraries for the organisation of crystallographic data and the performance of crystallographic computation
cln
Class library (C++) for numbers
cminpack
cmpfit
coinhsl
coinor-alps
coinor-bcp
coinor-bcps
coinor-blis
coinor-bonmin
coinor-cbc
coinor-cgl
coinor-clp
coinor-couenne
coinor-cppad
coinor-csdp
coinor-dip
coinor-dylp
coinor-flopcpp
coinor-mp
coinor-netlib
coinor-os
coinor-osi
coinor-sample
coinor-smi
coinor-symphony
coinor-utils
coinor-vol
colamd
Column approximate minimum degree ordering algorithm
colpack
comedilib
coot-data
Data for the Crystallographic Object-Oriented Toolkit
cqrlib
An ANSI C implementation of a utility library for quaternion arithmetic and quaternion rotation math
cs-rosetta-db
cxsparse
Extended sparse matrix package.
dcmtk
Libraries and applications implementing large parts the DICOM standard
dealii
deap
djbfft
extremely fast library for floating-point convolution
dlib
driftwood
driftwood lib
dsdp
elmer-eio
elmer-hutiter
eo
etsf_io
A library of Fortran90 routines to read/write the ETSF file format
exodusii
factory
factory is a C++ library for representing multivariate polynomials
fdlibm
fetk
fflas-ffpack
fftw
Fast C library for the Discrete Fourier Transform
fgsl
Fiona
flann
fox
A library designed to allow the easy use of XML from Fortran
fplll
fpLLL contains several algorithms on lattices
framewave
A collection of popular image and signal processing routines
freesteam
galib
library for using genetic algorithms in C++ programs
gamer
gandalf
gaul-devel
Genetic Algorithm Utility Library
gdal
GDAL is a translator library for raster geospatial data formats (includes OGR support)
geographiclib
geom
geos
Geometry engine library for Geographic Information Systems
gerris
The Gerris Flow Solver
getdata
ghmm
The General Hidden Markov Model library
givaro
Givaro is a C++ library for arithmetic and algebraic computations
gmsh
A three-dimensional finite element mesh generator with built-in pre- and post-processing facilities.
gotoblas2
gpp4
gpsmanshp
A Tcl package to read and write shapefiles.
grib_api
grits
gsl
The GNU Scientific Library
gts
GNU Triangulated Surface Library
hdf
General purpose library and format for storing scientific data
hdf5
General purpose library and file format for storing scientific data
htslib
hypre
idlmarkwardt
ietl
igraph
iml
Integer Matrix Library
inchi
indilib
INDI Astronomical Control Protocol library
io_lib
A general purpose trace and experiment file reading/writing interface
ipopt
ipp
Intel(R) Integrated Performance Primitive library for multimedia and data processing
itk
itl
itpp
C++ library of mathematical, signal processing and communication classes and functions
jama
Java-like matrix C++ templates
jmol-acme
Portions of the Acme collection required for jMol. Courtesy of ACME - Purveyors of fine freeware since 1972.
k3match
klu
Sparse LU factorization for circuit simulation
lal
lalapps
lalburst
lalframe
lalinference
lalinspiral
lalmetaio
lalpulsar
lalsimulation
lalstochastic
lalsuite
lalxml
lapack-atlas
F77 and C LAPACK implementations using available ATLAS routines
lapack-reference
FORTRAN reference implementation of LAPACK Linear Algebra PACKage
lapacke-reference
lapackpp
C++ wrapper for LAPACK libraries
ldl
Simple but educational LDL^T matrix factorization algorithm
lemon
levmar
A C++ implementation of the Levenberg-Marquardt non-linear regression
libbufr
ECMWF BUFR library - includes both C and Fortran example utilities.
libbuspirate
libcerf
libcgnsoo
CGNSOO library, provides an object-oriented interface to the CGNS Mid-level library
libcliquer
Cliquer is a set of C routines for finding cliques in an arbitrary weighted graph
libcmatrix
lite version of pNMRsim
libcore
Robust numerical and geometric computation library
libctl
Guile-based library implementing flexible control files for scientific simulations
libdap
Implementation of a C++ SDK for DAP 2.0 and 3.2
libdsfmt
libecwj2
Library for both the ECW and the ISO JPEG 2000 image file formats
libexcelformat
libfac
libfac is an extension of Singular-factory to finite fields
libframe
libgap
libgenome
Library for sci-biology/mauve
libgeodecomp
libgeotiff
Library for reading TIFF files with embedded tags for geographic (cartographic) information
libghemical
Chemical quantum mechanics and molecular mechanics
libh2o
libh2oboost
libh2oxx
libint
Used to evaluate traditional and novel two-body matrix elements (integrals) over Cartesian Gaussian functions
libmatheval
libmems
Library for sci-biology/mauve
libmuscle
Library for sci-biology/mauve
libnova
Celestial Mechanics and Astronomical Calculation Library
liborigin
A library for reading OriginLab OPJ project files
libpdb
PDB Record I/O Libraries -- c version
libpdb++
PDB Record I/O Libraries -- c++ version
libqalculate
A modern multi-purpose calculator library
libquantum
C library for quantum computing and quantum simulation
libsc
libsfmt
libsigrok
libsigrokdecode
libsingular
libspatialindex
libsufr
libsvm
Library for Support Vector Machines
libticables2
Library to handle different link cables for TI calculators
libticalcs2
Library for communication with TI calculators
libticonv
Charset conversion library for TI calculators
libtifiles2
Library for TI calculator files
libxc
A library of exchange-correlation functionals for use in DFT
linbox
LinBox is a C++ template library for linear algebra computation over integers and over finite fields
linux-gpib
lis
lrslib
lwpr
The Locally Weighted Projection Regression Library
m4ri
Method of four russian for inversion (M4RI)
m4rie
magma
matc
mathgl
Math Graphics Library
matio
Library for reading and writing matlab files
mc
med
Modeling and Exchange of Data library
mesquite
metaio
metis
A package for unstructured serial graph partitioning
minfx
minuit
A C++ physics analysis tool for function minimization
mkl
Intel(R) Math Kernel Library: linear algebra, fft, random number generators.
mlpack
mmdb
The Coordinate Library is designed to assist CCP4 developers in working with coordinate files
mmtk
Molecular Modeling ToolKit for Python
modglue
C++ library for handling of multiple co-processes
monomer-db
Monomer library used for macromolecular structure building and refinement.
mpfi
A multiple precision interval arithmetic library based on MPFR
mpiblacs
mpir
msms
MSMS library python extension module
mtl
mumps
naga
neartree
Function library efficiently solving the Nearest Neighbor Problem(known as the post office problem)
nemesis
netcdf
Scientific library and interface for array oriented data access
netcdf-cxx
netcdf-fortran
nfft
ni-visa
nibabel
nipy
nipype
nlopt
Non-linear optimization library
nurbs++
Non Uniform Rational Basis Spline (NURBS) library for C++
o2scl
oasa
A python library for manipulation of chemical structures
oc
Network Data Access Protocol client C library
ogdi
OGDI - Open Geographical Datastore Interface, a GIS support library
omalloc
openblas
opencascade
Software development platform for CAD/CAE, 3D surface/solid modeling and data exchange.
openfoam
Open Field Operation and Manipulation - CFD Simulation Toolbox
openfoam-bin
Open Field Operation and Manipulation - CFD Simulation Toolbox
openlibm
openmm
optpp
p4est
pagmo
parmetis
Parallel graph partitioner
parmgridgen
Software for parallel (mpi) generating coarse grids
pastix
pcl
pg2plplot
pgd-utils
Protein Geometry Database library and Python modules
pgplot
plasma
plotmm
plplot
Multi-language scientific plotting library
pmx
primegen
A small, fast library to generate primes in order
profnet
profphd-utils
proj
Proj.4 cartographic projection software with updated NAD27 grids
punc
pyafm
pycifrw
Provides support for reading and writing of CIF using python
pycomedi
pydicom
pygrib
pymc
Markov chain Monte Carlo for Python
pymmlib
Software toolkit and library of routines for the analysis and manipulation of macromolecular structural models
pynac
A modified version of GiNaC that replaces the dependency on CLN by Python
pypiezo
pyshp
qd
Quad-double and double-double float arithmetics
qfits
ESO stand-alone C library offering easy access to FITS files.
qrupdate
A library for fast updating of QR and Cholesky decompositions
rosetta-db
Essential database for rosetta
rosetta-fragments
Fragment library for rosetta
rsl
Radar Software Library
sage-ppl
scalapack
scikits
scikits_image
Image processing routines for SciPy
scikits_learn
A set of python modules for machine learning and data mining
scikits_optimization
Python module for numerical optimization
scikits_statsmodels
Statistical computations and models for use with SciPy
scikits_timeseries
SciPy module for manipulating, reporting, and plotting time series
scipy
Scientific algorithms library for Python
scotch
Software package and libraries for graph partitioning, static mapping, and sparse matrix block ordering
shapelib
library for manipulating ESRI Shapefiles
Shapely
shogun
silo
spglib
spooles
SParse Object Oriented Linear Equations Solver
spqr
Multithreaded multifrontal sparse QR factorization library
spr
Statistical analysis and machine learning library
ssm
starparse
Library for parsing NMR star files (peak-list format) and CIF files
stepper
suitesparse
Meta package for a suite of sparse matrix tools
suitesparseconfig
superlu
Sparse LU factorization library
superlu_dist
superlu_mt
symmetrica
A collection of routine to handle a variety of topics
szip
Implementation of the extended-Rice lossless compression algorithm
ta-lib
Technical Analysis Library for analyzing financial markets trends
tamu_anova
taucs
C library of sparse linear solvers
Theano
tmglib
tnt
Template Numerical Toolkit: C++ headers for array and matrices
torch
machine-learning library, written in simple C++
trilinos
udunits
The UCAR/Unidata Units library
ufconfig
Common configuration scripts for the SuiteSparse libraries
umfpack
Unsymmetric multifrontal sparse LU factorization library
vcg
A portable C++ templated library for manipulation, processing and displaying triangle and tetrahedral meshes with OpenGL
vecmath-objectclub
Unofficial free implementation of Sun javax.vecmath by Kenji Hiranabe
voro++
votca-tools
Votca tools library
vtk
The Visualization Toolkit
vtkdata
wannier90
Calculates maximally localized Wannier functions (MLWFs)
xblas
xdrfile
A small C-library for reading and writing gromacs trr and xtc files
xgks-pmel
PMEL fork of XGKS, an X11-based version of the ANSI Graphical Kernel System.
xkaapi
xraylib
xylib
Experimental x-y data reading library
zarja
Scientific multi-agent simulation library
zn_poly
A library for polynomial arithmetic