psi4/psi4

An open-source quantum chemistry library written in C++ and driven by Python, useful for computational chemistry research.

C++
Backend & APIs
API Frameworks
LGPL-3.0

1.1K

Stars

489

Forks

Apr 2, 2013

Created

Mar 5, 2026

Last Updated

Project Analytics

Stars Growth (1 Month)

+18

+1.6% change

Avg Daily Growth (1 Month)

+0.6

stars per day

Fork/Star Ratio (All Time)

42.7%

High engagement

Lifetime Growth

0.2

stars/day over 4.7K days

Stars Over Time

Forks Over Time

Open Issues Over Time

Pull Requests Over Time

Commits Over Time

AI-Generated Tags

computational-chemistry
quantum-chemistry
physics
chemistry
open-source

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