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molmod/psiflow

scalable molecular simulation

Owner
molmod (organization)
Stars
Stars: 144
Forks
Forks: 16
Language
Python
License
MIT
Created
2022
Topics
coupled-clustercp2kdftenhanced-samplingfree-energy-calculationsgpawmachine-learningmolecular-dynamicsorca-quantum-chemistryplumed2
Tier
Prototype (100 to 249 ★) What this tier means
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