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The Top 7 Quantum Chemistry Computational Physics Open Source Projects

Open source projects categorized as Quantum Chemistry Computational Physics
Categories > Computational Physics
Categories > Science > Quantum Chemistry
Iodata ⭐ 108
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
dependent packages 1total releases 2most recent commit 4 months agopypi qc-iodata} Downloads
Dqc ⭐ 52
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
dependent packages 1total releases 1most recent commit 2 years agopypi dqc} Downloads
Hartreefock ⭐ 41
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
most recent commit 9 months ago
Pyvibms ⭐ 16
A PyMOL plugin for visualizing vibrations in molecules and solids
most recent commit 2 years ago
Vqmcmolecule ⭐ 11
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
most recent commit 9 months ago
Hartree Fock ⭐ 7
Solution of Hartree-Fock equations within Pople's STO-3G basis set
most recent commit 5 years ago
Richmol ⭐ 7
Richmol is for variational simulations of molecular nuclear motion dynamics in fields
most recent commit 6 months ago
The 2 Most Depended On Quantum Chemistry Computational Physics Open Source Projects
Iodata ⭐ 108
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
dependent packages 1total releases 2latest release July 06, 2021most recent commit 4 months agopypi qc-iodata} Downloads
Dqc ⭐ 52
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
dependent packages 1total releases 1latest release May 30, 2021most recent commit 2 years agopypi dqc} Downloads
The 2 Latest Releases In Quantum Chemistry Computational Physics Open Source Projects
Iodata ⭐ 108
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
dependent packages 1total releases 2latest release July 06, 2021most recent commit 4 months agopypi qc-iodata} Downloads
Dqc ⭐ 52
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
dependent packages 1total releases 1latest release May 30, 2021most recent commit 2 years agopypi dqc} Downloads
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