deepmodeling/deepmd-kit
View on GitHubA deep learning package for many-body potential energy representation and molecular dynamics
- Stars
- 2k
- Forks
- 649
- Open beginner issues
- 0
- Indexed issues
- 162
- Avg merge
- 6d 18h
- Merged PRs (30d)
- 15
- Dominant language
- Python
- License
- LGPL-3.0
- Last GitHub push
- Sep 14, 2026
- Latest indexed
- Sep 15, 2026
- Contributing guide
- Contributing guide
- Code of conduct
- No code of conduct
- Beginner labels
- good first issue
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enhancement
deepmodeling/deepmd-kit#734 · 1 comment · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#1210 · 3 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#1959 · 1 comment · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#2090 · 4 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#2103 · 0 comments · 0 reactions · 1 assignee ·
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Docs
deepmodeling/deepmd-kit#2268 · 1 comment · 0 reactions · 0 assignees ·
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ZBL+DEEPMD Openenhancement
deepmodeling/deepmd-kit#2450 · 1 comment · 1 reaction · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#2788 · 1 comment · 0 reactions · 0 assignees ·
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good first issue
deepmodeling/deepmd-kit#2866 · 0 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5997 · 13 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3270 · 18 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3420 · 2 comments · 0 reactions · 1 assignee ·
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enhancement
deepmodeling/deepmd-kit#3470 · 0 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3491 · 1 comment · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3493 · 0 comments · 0 reactions · 2 assignees ·
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enhancement
deepmodeling/deepmd-kit#3505 · 1 comment · 0 reactions · 1 assignee ·
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enhancement
deepmodeling/deepmd-kit#3512 · 0 comments · 0 reactions · 0 assignees ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3524 · 1 comment · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3530 · 0 comments · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3531 · 0 comments · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3537 · 0 comments · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo wontfix
deepmodeling/deepmd-kit#3538 · 2 comments · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3539 · 0 comments · 0 reactions · 0 assignees ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3552 · 1 comment · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3559 · 0 comments · 0 reactions · 1 assignee ·
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branch: master todo comment type: todo
deepmodeling/deepmd-kit#3745 · 2 comments · 0 reactions · 1 assignee ·
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The unexpcted error: CUDA_ERROR_INVALID_DEVICE: invalid device ordinal from `dp compress` command. Openbug upstream
deepmodeling/deepmd-kit#3764 · 4 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3859 · 6 comments · 0 reactions · 1 assignee ·
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enhancement
deepmodeling/deepmd-kit#3869 · 0 comments · 0 reactions · 0 assignees ·
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enhancement upstream
deepmodeling/deepmd-kit#3932 · 9 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3939 · 2 comments · 0 reactions · 2 assignees ·
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bug
deepmodeling/deepmd-kit#3949 · 8 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#3951 · 3 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4078 · 2 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#4171 · 10 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4181 · 0 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4201 · 1 comment · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4415 · 3 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#4424 · 0 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5998 · 3 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4732 · 0 comments · 1 reaction · 1 assignee ·
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enhancement
deepmodeling/deepmd-kit#4745 · 1 comment · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#4755 · 3 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4896 · 1 comment · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#4998 · 1 comment · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5008 · 1 comment · 0 reactions · 0 assignees ·
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deepmodeling/deepmd-kit#5021 · 0 comments · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#5121 · 0 comments · 2 reactions · 0 assignees ·
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wontfix
deepmodeling/deepmd-kit#5129 · 0 comments · 0 reactions · 0 assignees ·
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branch: master lang: py todo comment type: todo
deepmodeling/deepmd-kit#5151 · 0 comments · 0 reactions · 0 assignees ·