Alternatives and similar repositories for mgmol:

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

• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 3 years ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆40Updated last week
• LLNL / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 5 years ago
• ECP-copa / CabanaMD
  Molecular dynamics proxy application based on Cabana
  ☆20Updated 3 months ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆47Updated this week
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated this week
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆15Updated 3 months ago
• atzberg / mango-selm
  Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…
  ☆11Updated last year
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆30Updated 4 months ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆23Updated last month
• RaulPPelaez / UAMMD
  A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…
  ☆54Updated 2 months ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated last year
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated this week
• stochasticHydroTools / PSE
  Positively Split Ewald
  ☆20Updated 4 years ago
• rpep / fmmgen
  Automatic code generation of Fast Multipole and Barnes-Hut operators
  ☆19Updated 2 years ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated 2 weeks ago
• sandialabs / TChem
  TChem - A Software Toolkit for the Analysis of Complex Kinetic Models
  ☆55Updated 2 months ago
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆15Updated 2 months ago
• pygbe / pygbe
  PyGBe: Python, GPUs and Boundary elements for electrostatics
  ☆66Updated last year
• wackywendell / tess
  Python bindings to the voro++ library.
  ☆36Updated last year
• SoftSimu / SymPhas
  Repository for the SymPhas software for phase-field simulations
  ☆19Updated this week
• SPARC-X / M-SPARC
  Matlab Simulation Package for Ab-initio Real-space Calculations
  ☆28Updated 2 months ago
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆18Updated 3 weeks ago
• khavernathy / mcmd
  Monte Carlo and Molecular Dynamics Simulation Package
  ☆84Updated 6 months ago
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆75Updated 3 weeks ago
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆28Updated 2 years ago
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆15Updated last week
• Jonas-Finkler / ewald-summation
  Efficient and easy to use fortran implementation of the Ewald summation method
  ☆13Updated last year
• space-group-research / mpmc
  A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models
  ☆47Updated 2 months ago
• dftfeDevelopers / dftfe
  DFT-FE: Real-space DFT calculations using Finite Elements
  ☆129Updated this week