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njzjz
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deepmd-gnn
DeePMD-kit plugin for various graph neural network models
GNU Lesser General Public License v3.0
21
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3
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chore(deps): update astral-sh/setup-uv action to v4
#40
renovate[bot]
opened
20 hours ago
1
chore(deps): update pypa/cibuildwheel action to v2.22
#39
renovate[bot]
closed
20 hours ago
1
feat: allow using mapping from LAMMPS
#38
njzjz
closed
1 day ago
1
fix: fix atomic numbers in MACE (although it's useless)
#37
njzjz
closed
1 day ago
1
CI: setup cibuildwheel
#36
njzjz
closed
3 days ago
2
[pre-commit.ci] pre-commit autoupdate
#35
pre-commit-ci[bot]
closed
1 day ago
1
chore(deps): bump codecov/codecov-action from 4 to 5
#34
dependabot[bot]
closed
4 days ago
0
docs: add credits to README
#33
njzjz
closed
1 week ago
1
chore(deps): update codecov/codecov-action action to v5 - autoclosed
#32
renovate[bot]
closed
4 days ago
0
Issue: Your installed Caffe2 version uses protobuf but the protobuf library cannot be found.
#31
zhoufy20
opened
3 weeks ago
2
[pre-commit.ci] pre-commit autoupdate
#30
pre-commit-ci[bot]
closed
1 week ago
1
fix: fix idx in OP
#29
njzjz
closed
1 month ago
1
feat: nequip model in batch
#28
njzjz
closed
1 month ago
2
feat: mace model in batch
#27
njzjz
closed
1 month ago
2
feat: support multiple frame for edge_index OP
#26
njzjz
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#25
pre-commit-ci[bot]
closed
1 month ago
1
fix: turn off `use_oidc` for PRs from forked repos
#24
njzjz
closed
1 month ago
0
chore(ci): use astral-sh/setup-uv action
#23
njzjz-bot
closed
1 month ago
1
breaking: rename OP
#22
njzjz
closed
1 month ago
0
fix: set seed in the model tests
#21
njzjz
closed
1 month ago
0
fix: set seed in the model tests
#20
njzjz
closed
1 month ago
0
chore: add more tests for nequip
#19
njzjz
closed
1 month ago
0
feat: support precision for nequip
#18
njzjz
closed
1 month ago
0
breaking: rename package to deepmd_gnn
#17
njzjz
closed
1 month ago
0
feat: add nequip
#16
njzjz
closed
1 month ago
2
fix: fix the default value of `std`
#15
njzjz
closed
2 months ago
1
feat: support atomic virials
#14
njzjz
opened
2 months ago
0
LAMMPS compatibility
#13
mutingx
closed
1 month ago
5
[pre-commit.ci] pre-commit autoupdate
#12
pre-commit-ci[bot]
closed
1 month ago
1
fix: fix message passing for ghost atoms
#11
njzjz
closed
2 months ago
2
support serialize and deserialize
#10
njzjz
closed
2 months ago
2
[pre-commit.ci] pre-commit autoupdate
#9
pre-commit-ci[bot]
closed
2 months ago
1
Dependency Dashboard
#8
renovate[bot]
opened
3 months ago
0
feat: support setting precision
#7
njzjz
closed
3 months ago
0
fix: test models and fix several issues
#6
njzjz
closed
3 months ago
1
tests: test training
#5
njzjz
closed
3 months ago
0
tests: check examples
#4
njzjz
closed
3 months ago
0
docs: fix links
#3
njzjz
closed
3 months ago
1
fix github actions permission
#2
njzjz
closed
3 months ago
0
First commit
#1
njzjz
closed
3 months ago
1