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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
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