Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
Top 6.5% on conda-forge.org
Top 1.5% dependent packages on conda-forge.org
Top 6.3% dependent repos on conda-forge.org
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Top 1.5% dependent packages on conda-forge.org
Top 6.3% dependent repos on conda-forge.org
Top 6.0% forks on conda-forge.org
conda-forge.org : pymatgen
Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://www.materialsproject.org).
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purl: pkg:conda/pymatgen
Keywords: materials, materials-informatics, materials-science, python, science
License: MIT
Latest release: over 1 year ago
First release: almost 5 years ago
Dependent packages: 47
Dependent repositories: 33
Stars: 1,170 on GitHub
Forks: 764 on GitHub
Total Commits: 19685
Committers: 343
Average commits per author: 57.391
Development Distribution Score (DDS): 0.825
More commit stats: commits.ecosyste.ms
See more repository details: repos.ecosyste.ms
Last synced: 13 days ago
mp-api 0.29.7
New API client for the Materials Project11 versions - Latest release: over 1 year ago - 2 dependent packages - 1 dependent repositories - 53 stars on GitHub
megnet 1.3.2
2 versions - Latest release: over 1 year agoaiida-core.atomic_tools 2.1.2
The official repository for the AiiDA code8 versions - Latest release: over 1 year ago - 4 dependent packages - 351 stars on GitHub
matminer 0.8.0
matminer is a library for performing data mining in the field of materials science.14 versions - Latest release: over 1 year ago - 7 dependent packages - 5 dependent repositories - 431 stars on GitHub
mir-flare 1.3.0
FLARE is an open-source Python package for creating fast and accurate atomistic potentials.14 versions - Latest release: over 1 year ago - 197 stars on GitHub
pyiron_atomistics 0.2.59
pyiron was initially developed in the Computational Materials Design department of Joerg Neugebau...60 versions - Latest release: over 1 year ago - 5 dependent packages - 21 dependent repositories - 23 stars on GitHub
simmate 0.12.0
The Simulated Materials Ecosystem (Simmate) is a toolbox and framework for computational material...19 versions - Latest release: over 1 year ago - 21 stars on GitHub
emmet-core 0.38.4
Be a master builder of databases of material properties. Avoid the Kragle.13 versions - Latest release: over 1 year ago - 3 dependent packages - 1 dependent repositories - 33 stars on GitHub
ifermi 0.3.1
IFermi is a Python (3.6+) library and set of command-line tools for the generation, analysis, and...3 versions - Latest release: over 1 year ago - 54 stars on GitHub
pyiron 0.4.7
pyiron was initially developed in the Computational Materials Design department of Joerg Neugebau...53 versions - Latest release: over 1 year ago - 1 dependent package - 16 dependent repositories
atomman 1.4.7
atomMan: the Atomistic Manipulation Toolkit is a Python library for creating, representing, manip...16 versions - Latest release: over 1 year ago - 1 dependent package - 62 stars on GitHub
pymatviz 0.5.1 💰
A toolkit for visualizations in materials informatics.3 versions - Latest release: over 1 year ago - 51 stars on GitHub
element-coder 0.0.7
Encode chemical elements numerically and decode numerical representations of elements.2 versions - Latest release: over 1 year ago - 4 stars on GitHub
moleculetda 0.2.1
1 version - Latest release: over 1 year agosumo 2.3.5
Sumo is a Python toolkit for plotting and analysis of ab initio solid-state calculation data, bui...16 versions - Latest release: over 1 year ago - 1 dependent package - 141 stars on GitHub
atomate2 0.0.8
atomate2 is a library of computational materials science workflows3 versions - Latest release: over 1 year ago - 1 dependent package - 63 stars on GitHub
m3gnet 0.1.0
M3GNet is a new materials graph neural network architecture that incorporates 3-body interactions...4 versions - Latest release: over 1 year ago - 131 stars on GitHub
dpdata 0.2.10
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS,...26 versions - Latest release: over 1 year ago - 1 dependent package - 121 stars on GitHub
py4dstem 0.13.7
py4DSTEM is a python tool for analysis of four-dimensional scanning transimission electron micros...18 versions - Latest release: over 1 year ago - 132 stars on GitHub
dpgen 0.10.6
The deep potential generator to generate a deep-learning based model of interatomic potential ene...10 versions - Latest release: over 1 year ago - 208 stars on GitHub
maml 2022.9.20
maml (MAterials Machine Learning) is a Python package that aims to provide useful high-level inte...8 versions - Latest release: over 1 year ago - 223 stars on GitHub
pymatgen-io-fleur 0.4.0
Pymatgen (https://pymatgen.org/) IO plugin for the LAPW code FLEUR (www.flapw.de)1 version - Latest release: almost 2 years ago - 3 stars on GitHub
structuregraph-helpers 0.0.9
Helpers for working with pymatgen structure graphs.2 versions - Latest release: almost 2 years ago - 8 stars on GitHub
matbench-genmetrics 0.2.1
Generative materials benchmarking metrics, inspired by guacamol and CDVAE.1 version - Latest release: almost 2 years ago - 8 stars on GitHub
amset 0.4.18
AMSET is a package for calculating electronic transport properties from first-principles calculat...10 versions - Latest release: almost 2 years ago - 90 stars on GitHub
mp_time_split 0.2.0
Use time-splits for Materials Project entries for generative modeling benchmarking.4 versions - Latest release: almost 2 years ago - 1 dependent package - 7 stars on GitHub
aiida-vasp 2.1.1
A plugin to AiiDA for running simulations with VASP1 version - Latest release: almost 2 years ago - 42 stars on GitHub
pymatgen-analysis-diffusion 2022.7.21 removed
Formerly pymatgen-diffusion, this is an add-on to pymatgen for diffusion analysis that is develop...3 versions - Latest release: almost 2 years ago - 2 dependent packages - 1 dependent repositories
aiida-gaussian 1.4.3
AiiDA plugin for Gaussian quantum chemistry software1 version - Latest release: almost 2 years ago - 6 stars on GitHub
xtal2png 0.7.0
Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based m...7 versions - Latest release: almost 2 years ago - 26 stars on GitHub
aimsgb 0.1.1
aimsgb, an efficient and open-source Python library for generating atomic coordinates in periodic...2 versions - Latest release: almost 2 years ago - 1 dependent package - 1 dependent repositories - 47 stars on GitHub
xraylarch 0.9.60
Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, X...5 versions - Latest release: about 2 years ago - 1 dependent package - 1 dependent repositories - 96 stars on GitHub
pymatgen-db 2022.5.20
Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis ...7 versions - Latest release: about 2 years ago - 43 stars on GitHub
quacc 0.0.2
A platform to enable high-throughput, database-driven quantum chemistry and computational materia...1 version - Latest release: about 2 years ago - 26 stars on GitHub
surfinpy 2.0.2
Thermodynamic Phase Diagram Generator2 versions - Latest release: over 2 years ago - 40 stars on GitHub
atomate 1.0.3
atomate is a software for computational materials science that contains pre-built workflows to co...10 versions - Latest release: over 2 years ago - 219 stars on GitHub
sqsgenerator 0.0.5
This package is a Special Quasirandom Structure generator written in Python3/C++5 versions - Latest release: over 2 years ago - 11 dependent repositories - 20 stars on GitHub
pumml 0.0.2
Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised pos...1 version - Latest release: over 2 years ago - 32 stars on GitHub
mofchecker 0.9.2
Basic sanity checks for MOFs.3 versions - Latest release: over 2 years ago - 12 stars on GitHub
abipy 0.9.2
AbiPy is a Python library to analyze the results produced by Abinit, an open-source program for t...5 versions - Latest release: over 2 years ago - 1 dependent package - 91 stars on GitHub
vasppy 0.7.1.0
A Python suite for manipulating VASP input and output1 version - Latest release: almost 3 years ago - 29 stars on GitHub
pymatgen-lammps 0.5.1
This is a package that I wrote to write input files for LAMMPS and analyze them because I was not...1 version - Latest release: almost 3 years ago - 5 stars on GitHub
robocrys 0.2.7
Robocrystallographer is a tool to generate text descriptions of crystal structures. Similar to ho...2 versions - Latest release: almost 3 years ago - 65 stars on GitHub
asr 0.4.1
Recipes for calculating material properties1 version - Latest release: about 3 years ago - 27 stars on GitLab.com
pymatgen-diffusion 2020.10.8
This is an add-on to pymatgen for diffusion analysis that is developed by the Materials Virtual L...3 versions - Latest release: over 3 years ago - 1 dependent package
aiida-cusp 0.1.0b2
Custodian based VASP Plugin for AiiDA1 version - Latest release: almost 4 years ago - 6 stars on GitHub
pseudo_dojo 0.3
PseudoDojo is an open-source Python framework for generating and validating pseudopotentials. It ...1 version - Latest release: about 4 years ago - 1 dependent repositories - 36 stars on GitHub