Alternatives and similar repositories for Haskell-abinitio:

Users that are interested in Haskell-abinitio are comparing it to the libraries listed below

• TREX-CoE / qmckl
  Quantum Monte Carlo Kernel Library
  ☆35Updated last month
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆24Updated 3 years ago
• certik / hfsolver
  Hartree Fock solver
  ☆26Updated 6 years ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆49Updated 3 months ago
• gabrielelanaro / chemview
  The new generation molecular viewer for IPython notebook
  ☆82Updated 4 years ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated 2 weeks ago
• berquist / rchem
  Ab initio quantum chemistry in Rust from scratch
  ☆12Updated this week
• setten / GW100
  GW100 data repository and post processing tools
  ☆11Updated last year
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated last year
• devinamatthews / aquarius
  Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …
  ☆28Updated 10 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated last year
• lanl / LATTE
  Developer repository for the LATTE code
  ☆40Updated last week
• jturney / ambit
  C++ library for the implementation of tensor product calculations through a clean, concise user interface.
  ☆22Updated last year
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆74Updated 2 weeks ago
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆35Updated 2 months ago
• stefabat / MolecularIntegrals
  A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals
  ☆10Updated 3 years ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated this week
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 3 weeks ago
• QuantumPackage / qp2
  Quantum Package : a programming environment for wave function methods
  ☆74Updated this week
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆20Updated last week
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆22Updated 4 years ago
• GreenGroup / RPMDrate
  Compute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
  ☆10Updated 11 years ago
• ben-albrecht / qcl
  Quantum Chemistry Laboratory package
  ☆19Updated 2 years ago
• maxscheurer / cppe
  C++ and Python library for Polarizable Embedding
  ☆22Updated 5 months ago
• hsidky / SAPHRON
  A lightweight C++11 Monte Carlo molecular simulation engine
  ☆9Updated 7 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…
  ☆34Updated last week
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated this week
• jarvist / Quante.jl
  Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
  ☆21Updated 3 years ago
• sunqm / qcint
  An optimized libcint branch for X86 architecture
  ☆28Updated 3 weeks ago