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deepmd

forked from https://github.com/deepmodeling/deepmd-kit

https://github.com/xwy-bit/deepmd

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (1.5%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

forked from https://github.com/deepmodeling/deepmd-kit

Basic Info
  • Host: GitHub
  • Owner: xwy-bit
  • License: lgpl-3.0
  • Language: Cuda
  • Default Branch: main
  • Size: 8.71 MB
Statistics
  • Stars: 0
  • Watchers: 1
  • Forks: 1
  • Open Issues: 1
  • Releases: 0
Created over 3 years ago · Last pushed over 3 years ago
Metadata Files
Readme Contributing License Citation

README.md

LOG of Code

1

path : repository/Deepmd/deepmd-kit/source/lib/src/cuda/prodenvmat.cu

result : function spline5_switch is insignificant

2

path : repository/Deepmd/deepmd-kit/source/lib/src/cuda/prodenvmat.cu

result : function compute_env_mat_a is insignficant

77.641s

3

path : repository/Deepmd/deepmd-kit/source/lib/src/cuda/prod_force.cu

result : function prod_force_a_gpu_cuda is insignficant

77.517s

4

path : repository/Deepmd/deepmd-kit/source/lib/src/cuda/prodforcegrad.cu

result : function prod_force_grad_a_gpu_cuda is insignficant

76,78s

Owner

  • Login: xwy-bit
  • Kind: user

Citation (CITATION.cff) 

preferred-citation:
  type: article
  authors:
  - family-names: "Wang"
    given-names: "Han"
  - family-names: "Zhang"
    given-names: "Linfeng"
  - family-names: "Han"
    given-names: "Jiequn"
  - family-names: "E"
    given-names: "Weinan"
  doi: "10.1016/j.cpc.2018.03.016"
  journal: "Computer Physics Communications"
  month: 7
  start: 178 # First page number
  end: 184 # Last page number
  title: "DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics"
  volume: 228
  year: 2018

GitHub Events

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Dependencies

.github/workflows/build_cc.yml actions
  • actions/checkout master composite
.github/workflows/build_wheel.yml actions
  • actions/checkout v2 composite
  • actions/download-artifact v2 composite
  • actions/setup-python v2 composite
  • actions/upload-artifact v2 composite
  • pypa/gh-action-pypi-publish master composite
.github/workflows/labeler.yml actions
  • actions/labeler v4 composite
.github/workflows/lint_python.yml actions
  • actions/checkout v1 composite
  • actions/setup-python v2 composite
  • marian-code/python-lint-annotate v2.5.0 composite
.github/workflows/mirror_gitee.yml actions
  • wearerequired/git-mirror-action v1 composite
.github/workflows/test_cc.yml actions
  • actions/checkout master composite
.github/workflows/test_python.yml actions
  • actions/cache v2 composite
  • actions/checkout master composite
doc/environment.yml pypi
doc/requirements.txt pypi
pyproject.toml pypi
requirements.txt pypi
  • dargs >=0.2.6
  • h5py *
  • importlib_metadata >=1.4
  • numpy *
  • packaging *
  • python-hostlist >=1.21
  • pyyaml *
  • scipy *
  • typing_extensions *
  • wcmatch *
setup.py pypi