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msmbuilder
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msmbuilder-legacy
Legacy release of MSMBuilder
http://msmbuilder.org
GNU General Public License v2.0
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Harden hybrid kmedoids code to avoid things like #309
#310
schwancr
closed
10 years ago
4
Hybrid KMedoids Dies Selecting New Trial Medoid
#309
rmcgibbo
closed
10 years ago
62
SHC Macrostate Clustering Methods and MSMBuilder
#308
s-gordon
closed
10 years ago
2
Eigensolver for reversible transition matrices should use Hermetian eigensolver.
#307
rmcgibbo
closed
10 years ago
10
Sparse eigen import changes
#306
kyleabeauchamp
closed
10 years ago
2
Simplify import sparse eigs code
#305
rmcgibbo
closed
10 years ago
2
Fix TravisCI environment for new scipy 0.11+ requirement, update docs to that effect
#304
rmcgibbo
closed
10 years ago
7
Deprecated Tarjan in favor of csgraph connected components [PR#2]
#303
kyleabeauchamp
closed
10 years ago
4
Deprecated Tarjan in favor of csgraph connected components
#302
kyleabeauchamp
closed
10 years ago
11
Added fix for #300 and simple test.
#301
kyleabeauchamp
closed
10 years ago
0
MSMLib.trim_states() fails when assignments is not None
#300
kyleabeauchamp
closed
10 years ago
1
Fixed RebuildProject to use len(mdtraj.open())
#299
kyleabeauchamp
closed
10 years ago
1
Added iext flag for ConvertData
#298
kyleabeauchamp
closed
10 years ago
1
Eliminate `file_dcd` option in ConvertDataToHDF (2.8)
#297
kyleabeauchamp
closed
10 years ago
1
CalculateImpliedTimescales.py crashes using assignments given by AssignHierarchical.py
#296
s-gordon
opened
10 years ago
5
AssignHierarchical.py stumbles with stride argument
#295
s-gordon
closed
10 years ago
3
Added implementation for #293
#294
kyleabeauchamp
closed
10 years ago
6
Add atom index option to builder and ConvertDataToHDF.py
#293
kyleabeauchamp
closed
10 years ago
2
Update master to 2.8
#292
rmcgibbo
closed
10 years ago
22
Fahproject
#291
kyleabeauchamp
closed
10 years ago
7
Fix FAH project builder in msmb2.8 branch
#290
kyleabeauchamp
closed
10 years ago
7
Unit tests for various Project Builder failure modes
#289
kyleabeauchamp
opened
10 years ago
2
Fixed more test failures.
#288
kyleabeauchamp
closed
10 years ago
24
Empty traj issue (msmb2.8 branch)
#287
kyleabeauchamp
closed
10 years ago
1
Had to old atom indices file to match saved reference generators.
#286
kyleabeauchamp
closed
10 years ago
0
Moar
#285
kyleabeauchamp
closed
10 years ago
1
Added points on cube test.
#284
kyleabeauchamp
closed
10 years ago
1
Fixed docs to ask for csr matrices.
#283
kyleabeauchamp
closed
10 years ago
2
Make testsystems module for generating reference data?
#282
kyleabeauchamp
closed
10 years ago
4
reduced precision in wrapper test
#281
kyleabeauchamp
closed
10 years ago
0
List and fix outstanding bugs in 2.8 branch
#280
kyleabeauchamp
closed
10 years ago
18
test import fastcluster before hierarhical script test.
#279
kyleabeauchamp
closed
10 years ago
0
Skip fastcluster script tests if fastcluster missing
#278
kyleabeauchamp
closed
10 years ago
3
build_msm argument counts *actually* must be a csr_matrix
#277
rmcgibbo
closed
10 years ago
0
Fix #252 on master
#276
rmcgibbo
closed
10 years ago
0
Fix #252 on msmb2.8
#275
rmcgibbo
closed
10 years ago
0
"trim" option in calculateimpliedtimescales.py doesnt work
#274
dvanatta
closed
10 years ago
1
Msmb2.8 bugfixes
#273
mpharrigan
closed
10 years ago
0
Reorganize docs slightly
#272
kyleabeauchamp
opened
10 years ago
2
[WIP] A couple more commits on top of Matt and Christians msmbuilder2.8 work
#271
rmcgibbo
closed
10 years ago
14
fixed Trajectory.py redundant check
#270
mlawrenz
closed
10 years ago
0
fixed Trajectory.py
#269
mlawrenz
closed
10 years ago
0
check for redundant frames in Trajectory.py minor bug
#268
mlawrenz
closed
10 years ago
3
Constrain transition matrix to have nonnegative eigenvalues?
#267
rmcgibbo
closed
10 years ago
10
Continuous contact pairs read indexed from 0
#266
mlawrenz
opened
10 years ago
1
ARPACK error in MLE for calc impliedscales
#265
mlawrenz
closed
10 years ago
4
[WIP] Rework metrics to use mdtraj
#264
mpharrigan
closed
10 years ago
9
[WIP] reworking the project class to use mdtraj instead of msmbuilder.Trajectory
#263
schwancr
closed
10 years ago
8
Cluster.py and 0-d Arrays
#262
cxhernandez
closed
11 years ago
13
Water
#261
mpharrigan
closed
10 years ago
4
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