Alternatives and similar repositories for pseudopotentiallibrary:

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

• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last month
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 2 months ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 6 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated last week
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 2 weeks ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆27Updated last year
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated 2 weeks ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 9 months ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆18Updated this week
• TREX-CoE / trexio
  TREX I/O library
  ☆49Updated last month
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆15Updated last year
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆37Updated last month
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆30Updated this week
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆21Updated 4 months ago
• TREX-CoE / aiida-qp2
  AiiDA plugin for Quantum Package 2.0
  ☆12Updated 8 months ago
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆17Updated 2 months ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆35Updated last year
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆34Updated 3 weeks ago
• sanshar / Dice
  ☆47Updated last month
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated this week
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆24Updated this week
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆15Updated last month
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated this week
• ak-ustutt / GeCCo-public
  public version of our general contraction code project
  ☆10Updated 11 months ago