Alternatives and similar repositories for mdlj

Users that are interested in mdlj are comparing it to the libraries listed below

• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆27Updated 4 months ago
• rpep / fmmgen
  Automatic code generation of Fast Multipole and Barnes-Hut operators
  ☆18Updated 2 years ago
• aamaricci / DMFTtools
  A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theor…
  ☆16Updated 2 months ago
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆29Updated 4 years ago
• pygbe / pygbe
  PyGBe: Python, GPUs and Boundary elements for electrostatics
  ☆67Updated 2 years ago
• fortran-lang / stdlib-cmake-example
  Integration of the Fortran standard library in CMake projects
  ☆16Updated 4 years ago
• AFD-Illinois / grim
  General Relativistic Implicit Magnetohydrodynamics
  ☆13Updated 3 years ago
• lanl / bml
  The Basic Matrix Library (bml)
  ☆42Updated 2 months ago
• certik / hfsolver
  Hartree Fock solver
  ☆26Updated 7 years ago
• joaander / hoomd-blue
  ☆19Updated 2 years ago
• LLNL / mgmol
  MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…
  ☆43Updated last week
• atomic-solvers / featom
  Finite Element Solvers for Atomic Structure Calculations
  ☆12Updated last year
• champsproject / chem_react_dyn
  Book on Chemical Reactions and Dynamical Systems
  ☆14Updated 2 years ago
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆24Updated last week
• MRChemSoft / mrcpp
  MultiResolution Computation Program Package
  ☆12Updated 6 months ago
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆26Updated last week
• vanderhe / fortnet
  Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
  ☆32Updated 8 months ago
• wavefunction91 / scalapackpp
  C++17 Wrapper for ScaLAPACK
  ☆11Updated 2 years ago
• fspiga / qe-gpu
  GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
  ☆63Updated 5 years ago
• RaulPPelaez / UAMMD
  A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…
  ☆60Updated this week
• anjohan / neuralnetwork
  Simple, parallel, object-oriented Fortran neural network
  ☆20Updated 6 years ago
• ImperialCollegeLondon / RCDS-introduction-to-fortran
  An Introductory Fortran course delivered by the Imperial College London Early Career Researcher Institute.
  ☆17Updated 6 months ago
• NWChemEx / TAMM
  Tensor Algebra for many-body methods
  ☆19Updated last week
• SM-at-THU / StatisticalMechanics
  This is a collection of answers to a SM book written by R. K. Pathria & Paul D. Beale. Lecture notes can be added too.
  ☆36Updated 6 years ago
• setten / GW100
  GW100 data repository and post processing tools
  ☆13Updated last year
• maroba / multipoles
  A Python package for multipole expansions of electrostatic or gravitational potentials
  ☆45Updated 9 months ago
• djgroen / FabSim3
  Python 3 version of FabSim
  ☆27Updated last month
• digital-chemistry-laboratory / libconeangle
  Library for calculating exact ligand cone angles
  ☆14Updated 3 years ago
• marekandreas / elpa
  A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
  ☆34Updated last month
• ebranlard / fortran-guidelines
  Guidelines for programming in fortran
  ☆18Updated 8 years ago