choderalab sams issues - Githubissues

choderalab / sams

Self-adjusted mixture sampling experiments

MIT License

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Removed travis CI config file

#12 mikemhenry closed 3 years ago
0
SAMS with ligand

#11 schallerdavid opened 3 years ago
2
Minimization script not working with OpenMM 7.5.1

#10 schallerdavid opened 3 years ago
0
Speed up umbrella sampling by only re-evaluating force group 1 when changing thermodynamic states

#9 jchodera opened 7 years ago
0
Alchemical umbrella hybrid

#8 jchodera closed 6 years ago
3
Fix weight adaptation and clean up examples

#7 jchodera closed 8 years ago
1
Overhaul alchemical test systems and fix local-jump

#6 jchodera closed 8 years ago
0
Difference between py3 and py2 range

#5 steven-albanese opened 8 years ago
6
working on minimization

#4 steven-albanese opened 8 years ago
8
add `*.pdb` and `*.nc` to a .gitignore file?

#3 steven-albanese closed 8 years ago
2
Removing large files

#2 steven-albanese closed 8 years ago
1
Updating script, going to test it on the apo kinase, just to get this…

#1 steven-albanese closed 8 years ago
5