lmmentel/awesome-python-chemistry
A curated list of Python packages for chemistry, including computational chemistry, molecular dynamics, and quantum chemistry.
Data & Databases
Databases
NOASSERTION
1.4K
Stars
225
Forks
Jan 30, 2017
Created
Sep 21, 2025
Last Updated
Project Analytics
Stars Growth (1 Month)
+15
+1.1% change
Avg Daily Growth (1 Month)
+0.5
stars per day
Fork/Star Ratio (All Time)
16.6%
Good engagement
Lifetime Growth
0.4
stars/day over 3.3K days
Stars Over Time
Forks Over Time
Open Issues Over Time
Pull Requests Over Time
Commits Over Time
Topics
AI-Generated Tags
chemistry
computational-chemistry
molecular-dynamics
quantum-chemistry
atomistic-simulations
python-chemistry
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