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choderalab
/
openmmmcmc
A general Markov chain Monte Carlo framework for OpenMM.
MIT License
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Removed travis CI config file
#16
mikemhenry
closed
2 years ago
0
Cleanup and fix Travis
#15
andrrizzi
closed
7 years ago
9
New states
#14
andrrizzi
closed
7 years ago
0
Distributed Computing Frameworks
#13
pgrinaway
opened
7 years ago
9
New states
#12
andrrizzi
closed
7 years ago
2
Add method for updating thermodynamic state of MCMCSampler
#11
jchodera
closed
8 years ago
0
Do not prompt for removal of packages
#10
jchodera
closed
8 years ago
0
Fix tests
#9
jchodera
closed
8 years ago
0
Add --force
#8
jchodera
closed
8 years ago
0
Add binstar dev package upload and travis badge
#7
jchodera
closed
8 years ago
0
Fix bug in setting pressure in MD units.
#6
jchodera
closed
8 years ago
13
Need a way to update ThermodynamicState through the API
#5
jchodera
closed
8 years ago
1
change iteritems to items
#4
pgrinaway
closed
8 years ago
3
LangevinDynamicsMove Error
#3
pgrinaway
closed
8 years ago
2
Python 3 compatibility
#2
pgrinaway
closed
8 years ago
1
Initial import of repex stuff
#1
pgrinaway
closed
8 years ago
25