Amber
Description Amber is a suite of biomolecular simulation programs. The term “Amber” refers to two things. First, it is a set of molecular mechanical force fields for the simulation of… Read more »
Author Archives: Jean-Baptiste Hoock
COMSOL Multiphysics
Description COMSOL Multiphysics is a numerical simulation software based on the Finite Element Method (FEM), used to model and analyze multidisciplinary physical phenomena. It enables the simulation of interactions across… Read more »
CPLEX
Description CPLEX Optimizer provides flexible and high-performance mathematical programming solvers for linear programming, mixed-integer programming, constraint programming, and quadratic constraint programming problems. These solvers include a distributed parallel algorithm for… Read more »
CUDA
Description CUDA (Compute Unified Device Architecture) is a parallel computing platform developed by NVIDIA. It enables code execution on GPUs through an extension of C/C++ and a set of low-level… Read more »
DSI Studio
Description DSI Studio is a tractography software for diffusion MRI, fiber tracking, and connectome analysis. The software maps brain connections and links the results to neuropsychological disorders. It is a… Read more »
Hierarchical Data Format 5
Description HDF5 (Hierarchical Data Format version 5) is a file format and software library designed to store and organize large amounts of complex data. Setup the environment Tutorial Documentation
Gromacs
Last installed version : 2025.2 Description GROMACS, which stands for “GROningen MAchine for Chemical Simulations,” is widely used molecular simulation software in the fields of computational chemistry, biochemistry, and biophysics…. Read more »
NCCL
Description The NVIDIA Collective Communication Library (NCCL) implements multi-GPU and multi-node communication primitives optimized for NVIDIA GPUs and Networking. NCCL provides routines such as all-gather, all-reduce, broadcast, reduce, reduce-scatter as… Read more »
NTL
Description NTL is a C++ library for doing number theory. NTL supports arbitrary length integer and arbitrary precision floating point arithmetic, finite fields, vectors, matrices, polynomials, lattice basis reduction and… Read more »