Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

Package Usage: pypi: dpdata

Manipulating data formats of DeePMD-kit, VASP, QE, PWmat, and LAMMPS, etc.
41 versions
Latest release: 12 months ago
12 dependent packages
2,978 downloads last month

View more package details: https://packages.ecosyste.ms/registries/pypi.org/packages/dpdata

View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/deepmodeling%2Fdpdata

Dependent Repos 12

haidi-ustc/maptool
Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
  • ==0.1.17 requirements.txt
  • * setup.py

Size: 613 KB - Last synced: about 1 year ago - Pushed: over 1 year ago

HuangJiameng/dpgen2 Fork of deepmodeling/dpgen2
  • * requirements.txt

Size: 1.32 MB - Last synced: 11 months ago - Pushed: 11 months ago

deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/pyproject.toml
  • * tests/plugin/pyproject.toml

Size: 6.28 MB - Last synced: 3 days ago - Pushed: 3 days ago

HongzhenTian/pwmat_dpgen
the interfac between pwmat and dpgen
  • >=0.1.10 setup.py

Size: 3.16 MB - Last synced: about 1 year ago - Pushed: over 1 year ago

LiuGroupHNU/dpgen
  • >=0.1.3 setup.py

Size: 2.61 MB - Last synced: 10 months ago - Pushed: over 1 year ago

njzjz/dpamber
  • [amber]>=0.2.2 pyproject.toml

Size: 356 KB - Last synced: 12 days ago - Pushed: 13 days ago

tongzhugroup/mddatasetbuilder
A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  • >=0.1.2 pyproject.toml

Size: 273 KB - Last synced: 6 days ago - Pushed: 6 days ago

AnguseZhang/dpgen Fork of deepmodeling/dpgen
The deep potential generator
  • ==0.2.6 requirements.txt
  • >=0.2.6 setup.py

Size: 7.83 MB - Last synced: 11 months ago - Pushed: 11 months ago

Cloudac7/dpgen Fork of deepmodeling/dpgen
The deep potential generator
  • ==0.2.6 requirements.txt
  • >=0.2.6 setup.py

Size: 7.29 MB - Last synced: about 1 year ago - Pushed: over 1 year ago

wangzyphysics/dpgen Fork of deepmodeling/dpgen
The deep potential generator
  • >=0.2.4 setup.py

Size: 9.08 MB - Last synced: 5 months ago - Pushed: 5 months ago

pxlxingliang/dpgen Fork of deepmodeling/dpgen
The deep potential generator
  • ==0.2.6 requirements.txt
  • >=0.2.6 setup.py

Size: 8.02 MB - Last synced: 7 months ago - Pushed: 7 months ago

deepmodeling/rid-kit
Reinforced dynamics
  • * requirements.txt

Size: 9.61 MB - Last synced: 3 days ago - Pushed: 16 days ago

pxlxingliang/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/setup.py

Size: 6.15 MB - Last synced: 4 months ago - Pushed: 4 months ago

njzjz/dpdata_qdpi
dpdata plugin for QDπ
  • >=0.2.7 pyproject.toml

Size: 58.6 KB - Last synced: 6 days ago - Pushed: 6 days ago

Chengqian-Zhang/dflow-phonon
  • >=0.2.13 setup.py

Size: 22.6 MB - Last synced: about 2 months ago - Pushed: about 1 year ago

Chengqian-Zhang/FP_OPs
This repository is dedicated to writing reusable OPs(operators) related to first principles computing.
  • * setup.py

Size: 229 KB - Last synced: about 2 months ago - Pushed: about 1 year ago

chenggroup/ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
  • 0.2.13 poetry.lock
  • ^0.2.13 pyproject.toml

Size: 6.09 MB - Last synced: 9 days ago - Pushed: 3 months ago

007gzs/test
  • * requirements.txt

Size: 1.6 MB - Last synced: 4 months ago - Pushed: 4 months ago

zjgemi/test-action
  • * pyproject.toml

Size: 4.88 KB - Last synced: about 1 year ago - Pushed: about 1 year ago

haidi-ustc/dpdb
  • >=0.1.0 setup.py

Size: 7.81 KB - Last synced: about 1 year ago - Pushed: almost 5 years ago

ZLI-afk/dflow-props
  • >=0.2.13 setup.py

Size: 3.37 MB - Last synced: about 1 year ago - Pushed: about 1 year ago

floatingCatty/dpgen Fork of deepmodeling/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  • >=0.2.6,!=0.2.11 pyproject.toml

Size: 7.78 MB - Last synced: 10 months ago - Pushed: about 1 year ago

LiuGroupHNU/dpgen-1 Fork of deepmodeling/dpgen
The deep potential generator
  • >=0.1.10 setup.py

Size: 3.96 MB - Last synced: 10 months ago - Pushed: over 4 years ago

yxguo1021/ChecMatE
Chemical Material Explorer
  • 0.2.13 poetry.lock
  • ^0.2.13 pyproject.toml

Size: 52.7 MB - Last synced: 9 months ago - Pushed: 9 months ago

dingzhaohan/dpgen Fork of deepmodeling/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  • >=0.2.6,!=0.2.11 pyproject.toml

Size: 7.92 MB - Last synced: 9 months ago - Pushed: 9 months ago

felix5572/dpgen Fork of deepmodeling/dpgen
The deep potential generator
  • >=0.1.14 setup.py

Size: 5.71 MB - Last synced: 9 months ago - Pushed: over 2 years ago

shdchen/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/pyproject.toml

Size: 4.99 MB - Last synced: 9 months ago - Pushed: over 1 year ago

shdchen/dpgen Fork of deepmodeling/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  • >=0.2.6,!=0.2.11 pyproject.toml

Size: 7.76 MB - Last synced: 9 months ago - Pushed: over 1 year ago

shdchen/dpgen2 Fork of deepmodeling/dpgen2
  • * pyproject.toml

Size: 1.03 MB - Last synced: 9 months ago - Pushed: over 1 year ago

marian-code/dpmd_tools
  • * requirements.txt

Size: 8.12 MB - Last synced: about 1 year ago - Pushed: over 1 year ago

Rugl6263/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/pyproject.toml

Size: 5.98 MB - Last synced: 9 months ago - Pushed: 12 months ago

zhenming-xu/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/setup.py

Size: 4.85 MB - Last synced: 8 months ago - Pushed: over 1 year ago

zhenming-xu/dpgen Fork of deepmodeling/dpgen
The deep potential generator
  • >=0.1.14 setup.py

Size: 5.83 MB - Last synced: 8 months ago - Pushed: over 2 years ago

robinzyb/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/pyproject.toml

Size: 5.99 MB - Last synced: 3 months ago - Pushed: 3 months ago

ondracka/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/setup.py

Size: 4.8 MB - Last synced: 4 days ago - Pushed: over 1 year ago

ruoyuwang1995ucas/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/pyproject.toml

Size: 6.01 MB - Last synced: 8 months ago - Pushed: 11 months ago

CCSun21/dpdata Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/pyproject.toml
  • * tests/plugin/pyproject.toml

Size: 6.17 MB - Last synced: about 1 month ago - Pushed: about 1 month ago

PKUfjh/rid-kit Fork of deepmodeling/rid-kit
Reinforced dynamics
  • * docs/requirements.txt
  • * requirements.txt

Size: 9.61 MB - Last synced: 7 months ago - Pushed: 7 months ago

kevinwenminion/APEX Fork of ZLI-afk/APEX
APEX: Alloy Properties EXplorer using simulations
  • >=0.2.13 setup.py

Size: 15.9 MB - Last synced: 11 days ago - Pushed: 11 days ago

bananenpampe/H2O
Various models learning the PES of H2O
  • * requirements.txt

Size: 13.5 MB - Last synced: 14 days ago - Pushed: 15 days ago

Kick-H/dpdata Fork of deepmodeling/dpdata
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
  • * plugin_example/setup.py

Size: 2.71 MB - Last synced: 7 months ago - Pushed: over 2 years ago

deepmodeling/dpgen2 Fork of dptech-corp/dpgen2
2nd generation of the Deep Potential GENerator
  • * pyproject.toml

Size: 1.38 MB - Last synced: 14 days ago - Pushed: 16 days ago

lhycms/MaterSDK
Material Software Development Kit (MaterSDK)
  • >=0.2.13 setup.py

Size: 12.4 MB - Last synced: 4 days ago - Pushed: 4 days ago

zjgemi/dpgen2 Fork of deepmodeling/dpgen2
  • * pyproject.toml

Size: 1.48 MB - Last synced: 9 days ago - Pushed: 10 days ago

KamronF9/dpdatajdftx Fork of deepmodeling/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
  • * plugin_example/setup.py

Size: 14.9 MB - Last synced: 3 months ago - Pushed: 3 months ago

njzjz/dpdata Fork of deepmodeling/dpdata
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
  • * plugin_example/pyproject.toml
  • * tests/plugin/pyproject.toml

Size: 8.45 MB - Last synced: about 7 hours ago - Pushed: about 8 hours ago

deepmodeling/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  • >=0.2.6,!=0.2.11 pyproject.toml

Size: 8.08 MB - Last synced: 5 days ago - Pushed: 6 days ago

chenggroup/catflow
An analyzing tool for Deep Potential based chemical research.
  • 0.2.17 poetry.lock

Size: 20.8 MB - Last synced: 11 days ago - Pushed: 17 days ago

robinzyb/cp2kdata
cp2k postprocessing tools
  • * pyproject.toml

Size: 14.3 MB - Last synced: 4 days ago - Pushed: 4 days ago

luukasnik/dpdata-turbomole-plugin
Plugin for dpdata to read in Turbomole grad files
  • * dpdata_turbomole.egg-info/requires.txt
  • * pyproject.toml

Size: 10.7 KB - Last synced: 3 months ago - Pushed: 10 months ago