issues
search
lanl
/
hippynn
python library for atomistic machine learning
https://lanl.github.io/hippynn/
Other
59
stars
22
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Generalize ASE DB import.
#33
mgt16-LANL
closed
11 months ago
8
unnecessary index type constraint for vectors (#31)
#32
lubbersnick
closed
1 year ago
0
unnecessary index type constraint for vectors
#31
lubbersnick
closed
1 year ago
0
Added database options to remove outlier data
#30
bnebgen-LANL
closed
1 year ago
0
Adjustments to ase_interface:
#29
bnebgen-LANL
closed
1 year ago
0
Fix a bug in setting up custom kernels
#28
tautomer
closed
1 year ago
0
Initial version of lammps interface compatible with kokkos
#27
lubbersnick
closed
1 year ago
0
Filters for Pair Indexers
#26
sakibmatin
closed
1 year ago
1
CombineScreenings Module
#25
sakibmatin
closed
1 year ago
0
Add versioneer to get version from git tags
#24
jan-janssen
closed
1 year ago
2
Merge 0.0.1 from development back to main
#23
lubbersnick
closed
1 year ago
0
Fix email address to work with pypi
#22
jan-janssen
closed
1 year ago
0
[WIP] Fix restart & multi-target dipole
#21
tautomer
closed
1 year ago
3
Bens bugfix
#20
bnebgen-LANL
closed
1 year ago
0
Bens bugfix
#19
bnebgen-LANL
closed
1 year ago
0
Fix settings and low distance warning
#18
tautomer
closed
1 year ago
1
Auto build docs via Actions
#17
tautomer
closed
1 year ago
4
'Glue-on' Method for damping Coulomb Interactions Locally.
#16
sakibmatin
closed
1 year ago
4
Fix a optimizer device problem
#15
tautomer
closed
1 year ago
2
Proper device handling for restart
#14
tautomer
closed
1 year ago
9
Transparent plot, doc update, and some misc updates
#13
tautomer
closed
1 year ago
1
Fix a problem with torch RNG when restarting
#12
tautomer
closed
1 year ago
11
Update calculator.py
#11
bnebgen-LANL
closed
1 year ago
0
LAMMPS ML-IAP Interface
#10
Boogie3D
closed
1 year ago
4
Environment variable HIPPYNN_PROGRESS not handled correctly
#9
tautomer
closed
1 year ago
0
Allow HIPNN to work with ASE Mixing Calculators
#8
MChigaev
closed
1 year ago
0
Fixed missing parenthesis.
#7
sakibmatin
closed
1 year ago
0
Change model.pkl to model.pt, as models now save as .pt
#6
MChigaev
closed
1 year ago
0
Fix typo, modoel -> model, and change best_checkpoint.pkl to best_checkpoint.pt, as models and checkpoints save now as .pt
#5
MChigaev
closed
1 year ago
2
Add ase database parser.
#4
mgt16
closed
1 year ago
2
ASE calculator fix
#3
jan-janssen
closed
2 years ago
1
Simplify the installation
#2
jan-janssen
closed
1 year ago
1
[Feature Request] Upload library to a package index
#1
SauravMaheshkar
closed
1 year ago
0
Previous