Alternatives and similar repositories for soprano

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

• USCCACS / QXMD
  QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
  ☆14Updated last year
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated last year
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆21Updated last month
• SCM-NV / nano-qmflows
  Package containing several workflows to compute molecular properties for nanomaterials
  ☆12Updated last year
• QEF / postqe
  ☆20Updated 2 years ago
• cmsi / smash
  Massively parallel software for quantum chemistry calculations
  ☆18Updated 3 years ago
• environ-developers / Environ
  A fortran package and library for continuum embedding calculations in materials and molecules
  ☆20Updated last month
• PyDEF2 / PyDEF-2.0
  PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…
  ☆17Updated 6 years ago
• JuDFTteam / aiida-kkr
  AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…
  ☆15Updated 4 months ago
• sekocha / pypolymlp
  Generator of polynomial machine learning potentials
  ☆18Updated this week
• teixeirafilipe / vibAnalysis
  Tools for performing vibrational analysis on molecular systems.
  ☆18Updated 2 years ago
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆16Updated 3 years ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last month
• berquist / chargemol
  2017-09-26 Linux source.
  ☆20Updated 4 years ago
• optados-developers / optados
  Official Repository of the Optados code
  ☆24Updated last month
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 7 years ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• henniggroup / gasp
  Genetic Algorithm for Structure and Phase Prediction
  ☆20Updated 9 years ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆31Updated 2 years ago
• PHOTOX / ABIN
  Multipurpose ab initio MD program.
  ☆11Updated last week
• pritampanda15 / wxDragon
  Automated DFT Input File Generator using wxDragon
  ☆15Updated 2 years ago
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆19Updated 3 months ago
• pnieves2019 / MAELAS
  Software to calculate magnetostriction coefficients and magnetoelastic constants
  ☆19Updated 2 years ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆21Updated 11 months ago
• KeivanS / Anharmonic-lattice-dynamics
  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…
  ☆18Updated last month
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆14Updated last month
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months ago
• EACcodes / VASPEmbedding
  Embedding module for VASP and tools for its use.
  ☆10Updated 10 months ago
• patonlab / pyDFTD3
  Python version of Grimme's D3-dispersion correction for Gaussian input/output
  ☆19Updated 3 years ago