issues
search
cbc-univie
/
transformato
Set up relative free energy calculations using a common scaffold
https://cbc-univie.github.io/transformato/
MIT License
22
stars
6
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Merge pull request #29 from wiederm/JohannesKarwou-patch-1
#30
wiederm
closed
2 years ago
0
Update schrodinger_systems.py
#29
JohannesKarwou
closed
3 years ago
0
Using shared memory objects in postprocessing
#28
wiederm
closed
3 years ago
0
Clearning tests
#27
wiederm
closed
3 years ago
0
using shared memory for multiprocessing
#26
JohannesKarwou
closed
3 years ago
0
modified function for heavy atoms
#25
JohannesKarwou
closed
3 years ago
1
Preparing infrastructure for RBFE
#24
wiederm
closed
3 years ago
0
enabling quick testing with only vacuum sampling
#23
wiederm
closed
3 years ago
0
Extend the mutaions TF is tested on
#22
wiederm
closed
3 years ago
0
Expending possible mutations to include tautomers/dual junctions
#21
wiederm
closed
3 years ago
0
Dev charmm
#20
wiederm
closed
3 years ago
1
Def mw
#19
wiederm
closed
4 years ago
1
new tests
#18
bbraunsfeld
closed
2 years ago
1
Def mw
#17
bbraunsfeld
closed
4 years ago
0
Test script
#16
bbraunsfeld
closed
2 years ago
1
Change of yaml_read_config and related test_config
#15
bbraunsfeld
closed
4 years ago
0
Dev
#14
wiederm
closed
4 years ago
0
First commitfirst commit
#13
bbraunsfeld
closed
4 years ago
0
Dev
#12
wiederm
closed
4 years ago
0
Dev
#11
wiederm
closed
4 years ago
0
Dev
#10
wiederm
closed
4 years ago
0
Include modifications done to the C-GUI branch
#9
wiederm
closed
4 years ago
0
Include solvation free energy in c-gui branch
#8
wiederm
closed
4 years ago
0
Small updates to sync branches
#7
wiederm
closed
4 years ago
0
Dev
#6
wiederm
closed
4 years ago
0
Dev
#5
wiederm
closed
5 years ago
0
adding documentation
#4
wiederm
closed
5 years ago
0
Dev
#3
wiederm
closed
5 years ago
0
Dev
#2
wiederm
closed
5 years ago
0
fixing dependencies
#1
wiederm
closed
5 years ago
0
Previous