issues
search
KurtzmanLab
/
SSTMap
Solvation Structure and Thermodynamic Mapping
MIT License
38
stars
23
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Fix on installation instructions
#75
acruzpr
closed
6 years ago
1
How to install from git and from the release package and a note on dependencies whe install manually
#74
acruzpr
closed
6 years ago
1
Update DOI badge in readme and some other changes
#73
kamran-haider
closed
6 years ago
0
finalizing changes to v1.0
#72
kamran-haider
closed
6 years ago
0
conda recipe fix and some other updates
#71
kamran-haider
closed
6 years ago
0
license switch and other updates
#70
kamran-haider
closed
6 years ago
0
Install instruction: Installation from source install the wrong version
#69
acruzpr
closed
4 years ago
2
Update README.md
#68
acruzpr
closed
6 years ago
0
Merging entropy functionality to master
#67
kamran-haider
closed
7 years ago
0
updated test functions for entropy output
#66
kamran-haider
closed
7 years ago
0
updated cpptraj entropy functionality in sstmap
#65
kamran-haider
closed
7 years ago
0
setting up for new entropy functionality
#64
kamran-haider
closed
7 years ago
0
adding patches for dosctring
#63
kamran-haider
closed
7 years ago
0
updated code with several new fixes
#62
kamran-haider
closed
7 years ago
0
Pip install
#61
tkurtzman
closed
7 years ago
1
memory and speedbottleneck fixes
#60
kamran-haider
closed
7 years ago
0
Memory issues with run_gist
#59
tkurtzman
closed
1 year ago
1
several new fixes
#58
kamran-haider
closed
7 years ago
0
Specifying more frames than exist
#57
tkurtzman
closed
1 year ago
0
Output E_tot an other? commonly used quantities
#56
tkurtzman
closed
1 year ago
0
Clustering number of frames
#55
tkurtzman
closed
7 years ago
1
Output file location
#54
tkurtzman
closed
7 years ago
1
HSA region around ligand
#53
tkurtzman
closed
7 years ago
1
Gromacs
#52
tkurtzman
closed
1 year ago
6
Water Tables
#51
tkurtzman
closed
1 year ago
0
fixed rho_bulk opc bug
#50
kamran-haider
closed
7 years ago
0
removed buggy windows support
#49
kamran-haider
closed
7 years ago
0
tested windows support
#48
kamran-haider
closed
7 years ago
0
added new flags plus optimization.
#47
kamran-haider
closed
7 years ago
0
up-to-date with latest fixes
#46
kamran-haider
closed
7 years ago
0
setting up automated testing of validated outputs
#45
kamran-haider
closed
7 years ago
0
Frame count issue
#44
gosldorf
closed
1 year ago
9
Progress bar should have ETA
#43
kamran-haider
closed
1 year ago
0
fixed hbond issue
#42
kamran-haider
closed
7 years ago
0
tweaking travis-CI
#41
kamran-haider
closed
7 years ago
0
setting up continuous integration
#40
kamran-haider
closed
7 years ago
0
deprecated a potential distance calculation optimization for water nb…
#39
kamran-haider
closed
7 years ago
0
memory fix for run_hsa
#38
kamran-haider
closed
7 years ago
0
Include water's hydrogen LJ parameters, when present in the model
#37
kamran-haider
closed
7 years ago
1
Validation of Output
#36
tkurtzman
closed
1 year ago
12
GIST run crash Centos 7
#35
gosldorf
closed
7 years ago
18
minor fixes
#34
kamran-haider
closed
7 years ago
0
Tutorial
#33
tkurtzman
closed
1 year ago
1
Name of repository
#32
tkurtzman
closed
7 years ago
1
Several fixes, especially issue #28
#31
kamran-haider
closed
7 years ago
0
Explanation of Output
#30
tkurtzman
closed
1 year ago
4
Tutorial
#29
tkurtzman
closed
7 years ago
1
Non existent file in command line input: Needs to fail better
#28
tkurtzman
closed
7 years ago
1
Mac Installation - wget
#27
tkurtzman
closed
7 years ago
3
testing sstmap with test_sstmap_suite
#26
kamran-haider
closed
1 year ago
4
Previous
Next