Alternatives and similar repositories for vipster:

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

• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆28Updated last year
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆43Updated last month
• lanl / LATTE
  Developer repository for the LATTE code
  ☆41Updated last week
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆42Updated last year
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆85Updated 11 months ago
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated 9 months ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆42Updated 3 weeks ago
• alexvakimov / pyxaid-code
  The main branch of the Pyxaid code
  ☆12Updated 7 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated 8 months ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• Allen-Tildesley / corrections
  Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…
  ☆31Updated 2 years ago
• 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
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated last week
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated 2 months ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆30Updated 2 years ago
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆37Updated this week
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆13Updated 5 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated last year
• Matgenix / turbomoleio
  Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…
  ☆20Updated 2 months ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆94Updated 2 weeks ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated last week
• exciting / exciting
  The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…
  ☆58Updated 2 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆65Updated 2 months ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆24Updated last month
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 6 months ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆25Updated 4 years ago
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 6 years ago
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆39Updated last week
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆17Updated 4 years ago