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molpy
Public[WIP] A data structure used to describe molecules in computational chemistry, just like numpy in data sciencemolcrafts
Publicmolexp
Publicmoldb
Publicmolpot
Publicmolcpp
Publicmolpack
Publicmoljs
Publicmolvis
Publicchemfile-testcases
Publicmolana
Publichamilton
PublicYour single tool to express data, ML, and LLM pipelines with simple python functions. Runs anywhere that python runs, E.G. spark, airflow, jupyter, fastapi, etc. Incrementally adoptable. Use Hamilton to build testable, reusable, and self-documenting dataflows with lineage and metadata out of the box.chemfiles
Publicchemfiles.js
Public