Amber | Assisted Model Building with energy refinement. Used for biological and molecular simulations. |
ATLAS | Provides optimal software for lineal algebra. |
BLAS | Routines for operations with vector and matrices. |
EasyBuild | Framework for installing software |
GAMESS | General Atomic and Molecular Electronic Structure System, a general ab initio quantum chemistry package. |
gamos5 | Geant4-based medicine-oriented-simulations. gamos5 simulates of the passage of particles through matter.Its areas of application include high energy, nuclear and accelerator physics, as well as studies in medical and space science. |
Gaussian | Provides state-of-the-art capabilities for structure modeling. |
gcc, g++, gfortran | Compilers and its libraries. |
gnuplot | Gnuplot is a command-line driven graphing utility used to visualize mathematical functions and data interactively. |
GSL | |
Lapack | Routines for solving lineal equations, eigenvalue problems. |
Ligplot | Program for automatically ploting protein-ligand interactions. |
Matlab | A programming language that allows matrix manipulations, plotting of functions and data, implementation of algorithms, creation of user interfaces and interfacing with programs written in other languages. |
MPICH | High performance and widely portable implementation of MPI. |
Octave | High-level interpreter language for numerical computations. It provides capabilities for numerical solution of lineal and nonlineal problems, and graphic capabilities for data manipulation and visualization. |
OpenMPI | Open source Message Passing Interface (MPI) implementation. |
pgapack | Parallel Genetic Algorithm Library |
python | A widely used high-level, general-purpose, interpreted, dynamic programming language. |
R | Free software environment for statistical computing and graphics. |
Scilab | Opensource software for numerical computations. |
Weka | Weka is a collection of machine learning algorithms for data mining tasks. The algorithms can either be applied directly to a dataset or called from your own Java code. Weka contains tools for data pre-processing, classification, regression, clustering, association rules, and visualization. |
Bioinformatics Software |
MrBayes | MrBayes is a program for Bayesian inference and model choice across a wide range of phylogenetic and evolutionary models. MrBayes uses Markov chain Monte Carlo (MCMC) methods to estimate the posterior distribution of model parameters. |
BEAST | BEAST2 is a cross-platform program for Bayesian phylogenetic analysis of molecular sequences. |
RAxML | RAxML (Randomized Axelerated Maximum Likelihood) is a program for sequential and parallel Maximum Likelihood based inference of large phylogenetic trees. It can also be used for post- analyses of sets of phylogenetic trees, analyses of alignments and, evolutionary placement of short reads. |