issues
search
stfc
/
aiida-mlip
machine learning interatomic potentials aiida plugin
https://stfc.github.io/aiida-mlip/
BSD 3-Clause "New" or "Revised" License
4
stars
4
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
handle errors from the calculations, can the training go on even if some calculations fail?
#155
federicazanca
opened
2 months ago
1
tests for workgraphs
#154
federicazanca
opened
2 months ago
0
148 add training workchain
#153
federicazanca
opened
2 months ago
0
Replace opt_kwargs with minimize_kwargs
#152
federicazanca
opened
2 months ago
0
Remove filepath and useless functions in configfile
#151
federicazanca
opened
2 months ago
0
142 model download change
#150
federicazanca
closed
2 months ago
1
change aiida version
#149
federicazanca
closed
2 months ago
2
add training workchain
#148
federicazanca
opened
2 months ago
0
High throughput wc
#147
federicazanca
opened
2 months ago
1
add high-throughput screening workchain
#146
federicazanca
opened
2 months ago
0
add tutorials
#145
federicazanca
closed
3 months ago
0
Add tutorials
#144
federicazanca
closed
3 months ago
0
Model check in config file
#143
federicazanca
opened
3 months ago
0
Model download change
#142
federicazanca
closed
2 months ago
0
Structure name not passed to optimizer via phonons
#141
ElliottKasoar
closed
3 months ago
1
install build essentials for docs to allow phonopy to build
#140
federicazanca
closed
3 months ago
0
fix docs error
#139
federicazanca
closed
3 months ago
0
134 model and architecture bug
#138
federicazanca
closed
3 months ago
1
Update ASE
#137
ElliottKasoar
closed
3 months ago
2
fix result dictionary
#136
federicazanca
closed
3 months ago
3
fix results dictionary
#135
federicazanca
closed
3 months ago
4
model and architecture bug
#134
federicazanca
closed
3 months ago
0
add tests for train parser
#133
federicazanca
opened
4 months ago
0
change status
#132
federicazanca
closed
4 months ago
2
change development status
#131
federicazanca
opened
4 months ago
0
remove janus entry point
#130
federicazanca
closed
4 months ago
0
change entry point names
#129
federicazanca
closed
4 months ago
0
add fine tuning
#128
federicazanca
closed
4 months ago
0
add fine tuning
#127
federicazanca
closed
4 months ago
0
make common pattern a function
#126
federicazanca
opened
4 months ago
0
change yaml to yml for consistency
#125
federicazanca
opened
4 months ago
0
Incorrect help for janus config file input
#124
ElliottKasoar
opened
4 months ago
0
121 add training
#123
federicazanca
closed
4 months ago
0
implement a proper cli
#122
federicazanca
opened
4 months ago
0
Add Training
#121
federicazanca
closed
4 months ago
8
add model is None in the input options
#120
federicazanca
closed
4 months ago
1
tox errors
#119
ElliottKasoar
opened
5 months ago
0
Catch model is None in examples
#118
ElliottKasoar
closed
4 months ago
0
Fix option names
#117
ElliottKasoar
closed
5 months ago
0
fix singlefiledata and some names
#116
federicazanca
closed
5 months ago
8
change filename for singlefiledata
#115
federicazanca
closed
5 months ago
0
change default inputs
#114
federicazanca
opened
5 months ago
1
cached_property for file data
#113
federicazanca
opened
5 months ago
0
Decide how much technical info should go in the user guide
#112
federicazanca
opened
5 months ago
0
cached_property for file data
#111
federicazanca
closed
5 months ago
0
Rename CLI options
#110
ElliottKasoar
opened
5 months ago
0
add option config file
#109
federicazanca
closed
5 months ago
0
config file to aiida
#108
federicazanca
opened
5 months ago
4
Logo
#107
alinelena
closed
5 months ago
2
get_builder
#106
federicazanca
opened
5 months ago
2
Next