deepmodeling/deepmd-kit
View on GitHubA deep learning package for many-body potential energy representation and molecular dynamics
- Stars
- 2k
- Forks
- 651
- 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 18, 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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Docs
deepmodeling/deepmd-kit#5981 · 1 comment · 0 reactions · 0 assignees ·
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pair_style deepmd/kk does not populate global virial / thermo pressure for a DPA4 pt_expt model Openbug
deepmodeling/deepmd-kit#5983 · 2 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5991 · 0 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5992 · 1 comment · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5993 · 1 comment · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5994 · 0 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5995 · 2 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#5996 · 1 comment · 0 reactions · 0 assignees ·
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enhancement
deepmodeling/deepmd-kit#6000 · 0 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#6014 · 0 comments · 0 reactions · 0 assignees ·
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bug
deepmodeling/deepmd-kit#6017 · 0 comments · 0 reactions · 0 assignees ·
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wontfix
deepmodeling/deepmd-kit#6021 · 0 comments · 0 reactions · 0 assignees ·