Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

Top 3.4% on pypi.org
Top 3.8% downloads on pypi.org
Top 0.5% dependent packages on pypi.org
Top 4.2% dependent repos on pypi.org
Top 4.3% forks on pypi.org
Top 1.9% docker downloads on pypi.org

pypi.org : dpdata

Manipulating data formats of DeePMD-kit, VASP, QE, PWmat, and LAMMPS, etc.

Registry - Source - Documentation - JSON
purl: pkg:pypi/dpdata
Keywords: lammps, vasp, deepmd-kit, atomic-data, python
License: Other
Latest release: about 2 months ago
First release: about 5 years ago
Dependent packages: 25
Dependent repositories: 12
Downloads: 21,766 last month
Stars: 183 on GitHub
Forks: 129 on GitHub
Docker dependents: 4
Docker downloads: 1,987
Total Commits: 413
Committers: 48
Average commits per author: 8.604
Development Distribution Score (DDS): 0.688
More commit stats: commits.ecosyste.ms
See more repository details: repos.ecosyste.ms
Last synced: 1 day ago

tcflow 0.1.1
A framework for thermal conductivity calculation based on EMD&NEMD methods
20 versions - Latest release: 8 days ago - 134 downloads last month - 6 stars on GitHub - 1 maintainer
rid-kit 0.6.4
RiD package for enhanced sampling
14 versions - Latest release: 10 days ago - 278 downloads last month - 42 stars on GitHub - 1 maintainer
Top 9.9% on pypi.org
ai2-kit 0.18.3
The deep potential generator to generate a deep-learning based model of interatomic potential ene...
171 versions - Latest release: 10 days ago - 4 dependent packages - 1 dependent repositories - 2.25 thousand downloads last month - 279 stars on GitHub - 1 maintainer
apex-flow 1.2.1
Alloy Properties EXplorer using simulations
11 versions - Latest release: 15 days ago - 192 downloads last month - 14 stars on GitHub - 1 maintainer
cp2kdata 0.6.9
A Small Package to Postprocess Cp2k Output
15 versions - Latest release: about 1 month ago - 2 dependent packages - 1 dependent repositories - 908 downloads last month - 46 stars on GitHub - 1 maintainer
catflow 0.5.1
Analyzing tool for deep learning based chemical research.
4 versions - Latest release: about 1 month ago - 65 downloads last month - 1 stars on GitHub - 1 maintainer
Top 9.9% on pypi.org
dpgen 0.12.1
DP-GEN: The deep potential generator
17 versions - Latest release: about 1 month ago - 1 dependent package - 1 dependent repositories - 428 downloads last month - 279 stars on GitHub - 2 maintainers
deepmd-kit-cu11 2.2.10
A deep learning package for many-body potential energy representation and molecular dynamics
3 versions - Latest release: about 2 months ago - 49 downloads last month - 1,353 stars on GitHub - 2 maintainers
Top 5.3% on pypi.org
deepmd-kit 2.2.10
A deep learning package for many-body potential energy representation and molecular dynamics
48 versions - Latest release: about 2 months ago - 2 dependent packages - 2 dependent repositories - 1.89 thousand downloads last month - 1,353 stars on GitHub - 2 maintainers
comparemol 0.0.2
Compare if two molecules are equivalent.
2 versions - Latest release: 3 months ago - 23 downloads last month - 0 stars on GitHub - 1 maintainer
amp-flow 0.0.0
DeepMD-kit integration with Parsl workflow tools to accelerate development of Deep Potentials
1 version - Latest release: 6 months ago - 22 downloads last month - 1 maintainer
aml-flow 0.0.0 removed
DeepMD-kit integration with Parsl workflow tools to accelerate development of Deep Potentials
1 version - Latest release: 6 months ago - 1 maintainer
mddatasetbuilder 1.3.8
A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS traj...
27 versions - Latest release: 9 months ago - 1 dependent repositories - 282 downloads last month - 36 stars on GitHub - 1 maintainer
miko-analyzer 0.3.3
Analyzing tool for deep learning based chemical research.
4 versions - Latest release: 10 months ago - 39 downloads last month - 1 maintainer
hotpot-zzy 0.2.6
A python package designed to communicate among various chemical and materials calculational tools
17 versions - Latest release: 11 months ago - 104 downloads last month - 11 stars on GitHub - 1 maintainer
dpdata-abinit 0.0.4
Dpdata plugin of ABINIT hist file
3 versions - Latest release: 12 months ago - 24 downloads last month - 1 maintainer
tcflow-tmp 0.0.1
A framework for thermal conductivity calculation based on EMD&NEMD methods
1 version - Latest release: 12 months ago - 15 downloads last month - 6 stars on GitHub - 1 maintainer
fpop 0.0.7
Operators related to first-principles calculation
7 versions - Latest release: about 1 year ago - 1 dependent package - 1 dependent repositories - 1.56 thousand downloads last month - 1 stars on GitHub - 1 maintainer
dflow-phonon 0.0.26
A phonon calculation package based on dflow
22 versions - Latest release: about 1 year ago - 168 downloads last month - 1 stars on GitHub - 1 maintainer
dflowtc 0.0.3
A framework for thermal conductivity calculation based on EMD&NEMD methods
1 version - Latest release: about 1 year ago - 15 downloads last month - 6 stars on GitHub - 1 maintainer
dflow-thermal-conductivity 0.0.2
A framework for thermal conductivity calculation based on EMD&NEMD methods
2 versions - Latest release: about 1 year ago - 22 downloads last month - 6 stars on GitHub - 1 maintainer
fpoptest 0.0.1
operators about first principle caculations
1 version - Latest release: over 1 year ago - 16 downloads last month - 0 stars on GitHub - 1 maintainer
dpdata-qdpi 0.0.1
The dpdata plugin for QDPi.
2 versions - Latest release: over 1 year ago - 29 downloads last month - 0 stars on GitHub - 1 maintainer
dpgen2 0.0.7
DPGEN2: concurrent learning workflow generating the machine learning potential energy models.
8 versions - Latest release: over 1 year ago - 1 dependent repositories - 67 downloads last month - 28 stars on GitHub - 1 maintainer
dpdata-ani 0.1.1
The dpdata plugin for ANI.
2 versions - Latest release: over 1 year ago - 22 downloads last month - 0 stars on GitHub - 1 maintainer