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dptech-corp/Uni-GBSA

An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.

Owner
dptech-corp (organization)
Stars
Stars: 154
Forks
Forks: 26
Language
Python
License
Apache-2.0
Created
2021
Tier
Prototype (100 to 249 ★) What this tier means
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