Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "density-functional-theory" keyword
Top 6.2% on pypi.org
15 versions - Latest release: 3 months ago - 3 dependent packages - 3 dependent repositories - 1.51 thousand downloads last month - 107 stars on GitHub - 1 maintainer
abipy 0.9.7
Python package to automate ABINIT calculations and analyze the results.15 versions - Latest release: 3 months ago - 3 dependent packages - 3 dependent repositories - 1.51 thousand downloads last month - 107 stars on GitHub - 1 maintainer
mat3ra-made 2024.5.15.post0
MAterials DEfinitions and/or MAterials DEsign library.18 versions - Latest release: 5 days ago - 1 dependent package - 698 downloads last month - 6 stars on GitHub - 1 maintainer
mat3ra-standata 2023.12.26.post3
Standard data for digital Materials R&D.1 version - Latest release: 5 months ago - 13 downloads last month - 6 stars on GitHub - 1 maintainer
mat3ra-code 2024.5.15.post0
COre DEfinitions.8 versions - Latest release: 5 days ago - 1 dependent package - 777 downloads last month - 6 stars on GitHub - 1 maintainer
Top 5.5% on pypi.org
39 versions - Latest release: 6 months ago - 4 dependent packages - 6 dependent repositories - 838 downloads last month - 169 stars on GitHub - 1 maintainer
sisl 0.14.3 💰
Manipulation and post-processing of DFT output and creating tight-binding models for NEGF transport39 versions - Latest release: 6 months ago - 4 dependent packages - 6 dependent repositories - 838 downloads last month - 169 stars on GitHub - 1 maintainer
teste-topologic 0.0.1 removed
...1 version - Latest release: about 1 year ago - 7 downloads last month - 22 stars on GitHub - 1 maintainer
materials-learning-algorithms 1.2.1
Materials Learning Algorithms. A framework for machine learning materials properties from first-p...3 versions - Latest release: 4 months ago - 1 dependent repositories - 43 downloads last month - 77 stars on GitHub - 2 maintainers
surfinpy 2.0.2
Surface Phase Diagram Plotting Tools5 versions - Latest release: about 2 years ago - 1 dependent repositories - 46 downloads last month - 50 stars on GitHub - 1 maintainer
pyxdh 0.0.7
Document and code of python and PySCF approach XYG3 type of density functional realization6 versions - Latest release: 3 months ago - 1 dependent repositories - 58 downloads last month - 55 stars on GitHub - 1 maintainer
pumml 0.0.2
Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised pos...2 versions - Latest release: over 3 years ago - 1 dependent repositories - 38 downloads last month - 33 stars on GitHub - 1 maintainer
mispr 0.0.4
mispr contains FireWorks workflows for Materials Science3 versions - Latest release: 10 months ago - 1 dependent repositories - 12 downloads last month - 26 stars on GitHub - 1 maintainer
Top 9.4% on pypi.org
65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
masci-tools 0.15.0
masci-tools is a collection of tools for materials science.65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
esse 2021.11.26
Exabyte Source of Schemas and Examples69 versions - Latest release: over 2 years ago - 1 dependent package - 3 dependent repositories - 652 downloads last month - 6 stars on GitHub - 1 maintainer
dqc 0.1.0
Differentiable Quantum Chemistry1 version - Latest release: almost 3 years ago - 1 dependent package - 43 downloads last month - 98 stars on GitHub - 2 maintainers
dfttools 0.1.0
Tools for parsing textual data from modern DFT (quantum chemistry) packages1 version - Latest release: about 2 years ago - 1 dependent repositories - 2 downloads last month - 4 stars on GitHub - 1 maintainer
dfttoolbox 1.6.3
A toolbox to initialize or postpocess several DFT codes10 versions - Latest release: 9 months ago - 1 dependent repositories - 59 downloads last month - 35 stars on GitHub - 1 maintainer
castep-parse 0.2.3
Input file writers and output file parsers for the density functional theory code CASTEP.9 versions - Latest release: about 2 years ago - 91 downloads last month - 7 stars on GitHub - 1 maintainer
atomec 1.4.0
KS-DFT average-atom code5 versions - Latest release: 6 months ago - 1 dependent repositories - 48 downloads last month - 17 stars on GitHub - 2 maintainers
feos 0.6.1
FeOs - A framework for equations of state and classical density functional theory.13 versions - Latest release: 4 months ago - 1 dependent repositories - 394 downloads last month - 82 stars on GitHub - 1 maintainer
asedftk 0.2.7
DFTK-based calculator for ASE15 versions - Latest release: about 3 years ago - 1 dependent repositories - 174 downloads last month - 2 stars on GitHub - 1 maintainer
cp2k-helper 0.0.5
A package to help accelerate working with cp2k4 versions - Latest release: over 1 year ago - 1 dependent repositories - 45 downloads last month - 0 stars on GitHub - 1 maintainer
aiida-kkr 2.1.0
AiiDA plugin for the JuKKR codes28 versions - Latest release: 6 months ago - 1 dependent repositories - 532 downloads last month - 14 stars on GitHub - 1 maintainer
aiida-fleur 2.0.0
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workcha...15 versions - Latest release: about 1 year ago - 2 dependent packages - 1 dependent repositories - 266 downloads last month - 13 stars on GitHub - 2 maintainers
aarontools 1.0b19
Tools for measuring and manipulating molecular structures19 versions - Latest release: 12 months ago - 1 dependent repositories - 301 downloads last month - 34 stars on GitHub - 1 maintainer
apdft 2019.12.2
APDFT calculates quantumchemical results for many molecules at once.4 versions - Latest release: over 4 years ago - 48 downloads last month - 14 stars on GitHub - 1 maintainer
express-py 2021.12.16
EXcellent PRoperty Extractor and Serializer.66 versions - Latest release: over 2 years ago - 1 dependent package - 1 dependent repositories - 616 downloads last month - 2 stars on GitHub - 1 maintainer
Related Keywords
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chemistry
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DFT
4
simulation-modeling
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band-structure
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aiida
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judft
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thermodynamic-properties
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VASP
2
utility
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atomistic-simulations
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dftk
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1
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rrho
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psi4
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ir-spectra
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