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BranniganLab
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safep
Tools for Analyzing and Debugging (SA)FEP calculations. See also the SAFEP Tutorial: https://github.com/jhenin/SAFEP_tutorial/tree/main Documentation: https://safep-alchemy.readthedocs.io/en/latest/
GNU Lesser General Public License v2.1
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Add dE comparisons for a whole dataframe
#6
EzryStIago
opened
2 years ago
3
Add delta E comparison for a single window
#5
EzryStIago
opened
2 years ago
0
Packaging
#4
EzryStIago
closed
2 years ago
1
Extend hysteresis plots
#3
EzryStIago
closed
2 years ago
0
Decorrelated
#2
EzryStIago
closed
2 years ago
0
Lambda subset and additional visualizations
#1
EzryStIago
closed
3 years ago
0
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