issues
search
uw-ipd
/
tmol
TMol
Apache License 2.0
30
stars
3
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Various fixes for omega
#255
jflat06
closed
1 year ago
1
Implement disulfide score term
#254
jflat06
closed
1 year ago
6
Add disulfide score term
#253
jflat06
closed
1 year ago
2
Aleaverfay/res centric rama
#252
aleaverfay
closed
1 year ago
1
Remove custom dependencies from tmol.
#251
fdimaio
closed
1 year ago
1
Add 'new' omega score term.
#250
jflat06
closed
1 year ago
15
Aleaverfay/res centric lkball
#249
aleaverfay
closed
1 year ago
1
Aleaverfay/res centric hbonds
#248
aleaverfay
closed
1 year ago
1
Aleaverfay/res centric elec
#247
aleaverfay
closed
1 year ago
1
Add device-agnostic, residue-centric, whole-pose energy evaluation
#246
aleaverfay
closed
1 year ago
1
Aleaverfay/minimize pose stack
#245
aleaverfay
closed
1 year ago
1
Apply clang-format to .cpp files
#244
aleaverfay
closed
2 years ago
1
First pass of residue-centric architecture
#243
aleaverfay
closed
2 years ago
1
Dimaio/cuda11 torch17
#242
fdimaio
closed
2 years ago
1
Wiki and Docs link are broken.
#241
sokrypton
opened
2 years ago
4
Create LICENSE
#240
aleaverfay
closed
2 years ago
1
Fix error in the 4x4 identity matrix used in HT-based kinematics
#239
aleaverfay
closed
2 years ago
2
Remove old score graph system and update tests
#238
milkshakeiii
closed
3 years ago
6
Dimaio/remove db submodule
#237
fdimaio
closed
3 years ago
1
Solberg/omega new score graph
#236
milkshakeiii
closed
3 years ago
1
Solberg/rama new score graph
#235
milkshakeiii
closed
3 years ago
1
cartbonded new score graph
#234
milkshakeiii
closed
3 years ago
1
New score module for dunbrack
#233
milkshakeiii
closed
3 years ago
2
new score graph - lkball
#232
milkshakeiii
closed
3 years ago
1
Add elec to new score graph
#231
milkshakeiii
closed
3 years ago
3
Dimaio/TRconstraints
#230
fdimaio
closed
3 years ago
2
Dimaio/constraint module
#229
fdimaio
closed
3 years ago
0
Update torch=1.6, cuda=10.1, python=3.7, numpy, pandas.
#228
asford
closed
4 years ago
2
Implement module-oriented score framework.
#227
asford
closed
4 years ago
1
Pin dependencies, fix tests, disable doc/support test components.
#226
asford
closed
4 years ago
0
Implement module-oriented score framework.
#225
asford
closed
4 years ago
0
Update numpy to 1.15+
#224
aleaverfay
closed
1 year ago
1
Aleaverfay/stack kinematics
#223
aleaverfay
closed
1 year ago
3
Aleaverfay/stack omega
#222
aleaverfay
closed
4 years ago
3
Aleaverfay/stacked performance
#221
aleaverfay
closed
1 year ago
1
Aleaverfay/stack dunbrack
#220
aleaverfay
closed
5 years ago
2
Aleaverfay/stack elec
#219
aleaverfay
closed
5 years ago
2
Adding third unit-test run where Numba jitting is disabled
#218
aleaverfay
closed
5 years ago
3
Aleaverfay/stack lkball
#217
aleaverfay
closed
5 years ago
4
Aleaverfay/stack rama
#216
aleaverfay
closed
5 years ago
5
Several small overhead reductions for scoring small systems
#215
fdimaio
closed
5 years ago
4
fix tests on mac
#214
aleaverfay
closed
5 years ago
4
stack lj/lk intra scoring
#213
aleaverfay
closed
5 years ago
3
Aleaverfay/empty and zero
#212
aleaverfay
closed
1 year ago
6
Add comparative benchmark and benchmark docs.
#211
asford
closed
5 years ago
4
Remove lkball indexing
#210
fdimaio
closed
5 years ago
8
Dimaio/faster kinematics
#209
fdimaio
closed
5 years ago
6
Launch kernels in separate streams
#208
aleaverfay
closed
5 years ago
4
Add inline benchmark plots.
#207
asford
closed
5 years ago
1
Updates to fa_elec
#206
fdimaio
closed
5 years ago
2
Previous
Next