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choderalab
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gbff-prototypes
Generalized Bayesian forcefield development.
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Use canonical AM1-BCC charges
#4
jchodera
opened
9 years ago
0
[WIP] Initial check in of manuscript skeleton
#3
jchodera
opened
9 years ago
1
Unusual pymc error
#2
jchodera
closed
9 years ago
2
Change GB from single-point energies to one-sided EXP estimates of free energy
#1
jchodera
opened
10 years ago
1