Psi4 Alternatives

Similar projects and alternatives to psi4

• xtb

  3 525 8.3 Fortran psi4 VS xtb

  Semiempirical Extended Tight-Binding Program Package

  

• nwchem

  4 465 9.7 Fortran psi4 VS nwchem

  NWChem: Open Source High-Performance Computational Chemistry

• InfluxDB

  www.influxdata.com featured

  Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

  

• espresso

  1 217 9.1 C++ psi4 VS espresso

  The ESPResSo package (by espressomd)

  

• BOUT-dev

  4 167 9.0 C++ psi4 VS BOUT-dev

  BOUT++: Plasma fluid finite-difference simulation code in curvilinear coordinate systems

  

• HartreeFock

  15 52 6.2 C++ psi4 VS HartreeFock

  A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

• openbabel

  3 1,002 6.3 C++ psi4 VS openbabel

  Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

  

• root

  31 2,422 10.0 C++ psi4 VS root

  The official repository for ROOT: analyzing, storing and visualizing big data, scientifically

  

• SaaSHub

  www.saashub.com featured

  SaaSHub - Software Alternatives and Reviews. SaaSHub helps you find the best software and product alternatives

  

• pyar

  1 19 3.3 Python psi4 VS pyar

  Python program for aggregation and reaction