Alternatives and similar repositories for eminus:

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

• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 7 years 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 last week
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 9 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated last week
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated 3 weeks ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 8 months ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 3 years ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 8 months ago
• west-code-development / West
  WEST code
  ☆19Updated 4 months ago
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 2 months ago
• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last week
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆27Updated last year
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 6 months ago
• felipelewyee / PyNOF
  ☆14Updated last month
• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆10Updated 3 years ago
• piecuch-group / cct3
  CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…
  ☆13Updated last year
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆13Updated 4 months ago
• sanshar / StackBlock
  ☆11Updated 3 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆37Updated last week
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆26Updated last year