issues
search
ulissigroup
/
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
GNU General Public License v3.0
59
stars
35
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Update Required for PyTorch and CUDA Versions to Support NVIDIA H100 GPUs and Resolve Dependency Issues
#132
IliasChair
opened
4 months ago
2
Questions about the NNL calculation
#131
XinjianOUYANG
opened
8 months ago
0
Torch version issues
#130
jparas-3
opened
1 year ago
3
Incompatible with the old version of simple-nn
#129
haipronl
closed
1 year ago
3
Minor fix for Zenodo
#128
nicoleyghu
closed
1 year ago
0
Add DOI badge to readme
#127
nicoleyghu
closed
1 year ago
0
Update paper.md and reference formatting
#126
nicoleyghu
closed
1 year ago
0
Fix affiliation typo that is breaking JOSS build
#125
ml-evs
closed
1 year ago
2
Paper fix
#124
nicoleyghu
closed
1 year ago
1
Passing arguments as config data class
#123
ajmedford
opened
1 year ago
1
Update docs
#122
nicoleyghu
closed
1 year ago
0
Update readthedoc documentation
#121
nicoleyghu
closed
1 year ago
0
Fix the default fp_scheme description in md.
#120
nicoleyghu
closed
1 year ago
0
Add contributing.md file and related changes to doc.
#119
nicoleyghu
closed
1 year ago
0
[JOSS] Community Guidelines
#118
ianfhunter
closed
1 year ago
1
[JOSS] Paper feedback
#117
ianfhunter
closed
1 year ago
3
Fix torch environment dependencies.
#116
nicoleyghu
closed
1 year ago
0
[JOSS] Issue with examples - inhomogeneous shape
#115
ianfhunter
closed
1 year ago
3
[JOSS] Confirmation of authorship
#114
ianfhunter
closed
1 year ago
3
Fixing documentations, tests, examples for JOSS review.
#113
nicoleyghu
closed
1 year ago
0
[JOSS review] Code feedback
#112
ml-evs
closed
1 year ago
5
Update to Python 3.9
#111
nicoleyghu
closed
1 year ago
0
Update build to large resource class in config.yml
#110
nicoleyghu
closed
1 year ago
0
Duplicate
#109
ml-evs
closed
1 year ago
0
[JOSS REVIEW] Support for Python>3.6
#108
ml-evs
closed
1 year ago
6
Mutable default arguments and potential bugs in the future
#107
jparas-3
opened
1 year ago
1
Added compiler flags for PACE compiler
#106
jparas-3
closed
1 year ago
0
Parallelization in fingerprint generation does not seam to work
#105
vasalx
opened
2 years ago
0
Update readme.md.
#104
nicoleyghu
closed
2 years ago
0
Add uncertainty implementation and docs. Added psp to example folder.
#103
nicoleyghu
closed
2 years ago
0
Add GMP tests. Changed to AmpTorch.
#102
nicoleyghu
closed
2 years ago
0
Dependency Dashboard
#101
renovate[bot]
opened
3 years ago
0
Update dependency circleci/python to v3.10
#100
renovate[bot]
closed
2 years ago
1
Sparse tensor dtype
#99
ray38
closed
3 years ago
1
Please create an official Release of the package.
#98
akesandgren
closed
3 years ago
1
debug-flag fix
#97
mshuaibii
closed
3 years ago
0
Error in prediction when setting debug to true
#96
hsulab
closed
3 years ago
2
Update precommit hook pre-commit/pre-commit-hooks to v4
#95
renovate[bot]
closed
3 years ago
0
Update precommit hook pre-commit/pre-commit-hooks to v3 - autoclosed
#94
renovate[bot]
closed
3 years ago
0
Update precommit hook pre-commit/pre-commit-hooks to v2.5.0
#93
renovate[bot]
closed
3 years ago
0
Update circleci/python Docker tag to v3.9
#92
renovate[bot]
closed
3 years ago
1
Configure Renovate
#91
renovate[bot]
closed
3 years ago
1
examples do not work
#90
rsdmse
closed
3 years ago
1
Unable to use training dataset with images of varying numbers of atoms
#89
EricMusa
closed
3 years ago
2
GMP feature with lmdb
#88
ray38
closed
2 years ago
0
better image indexing
#87
mshuaibii
closed
3 years ago
0
Lmdb refactor
#86
ray38
closed
3 years ago
1
Scaling - turn off scaling for target values
#85
vsumaria
closed
2 years ago
2
Memory issues while loading large dataset
#84
vsumaria
closed
2 years ago
5
How do you correctly restart training?
#83
vsumaria
closed
3 years ago
11
Next