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ulissigroup
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amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
GNU General Public License v3.0
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Update Required for PyTorch and CUDA Versions to Support NVIDIA H100 GPUs and Resolve Dependency Issues
#132
IliasChair
opened
2 months ago
2
Questions about the NNL calculation
#131
XinjianOUYANG
opened
6 months ago
0
Torch version issues
#130
jparas-3
opened
10 months ago
3
Incompatible with the old version of simple-nn
#129
haipronl
closed
10 months 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
2 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
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