Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "materials-informatics" keyword
catlearn 0.6.2
Utilities for building and testing atomic machine learning models. Gaussian Processes (GP) regres...3 versions - Latest release: about 4 years ago - 83 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
pymatviz 0.5.1 💰
A toolkit for visualizations in materials informatics.3 versions - Latest release: over 1 year ago - 51 stars on GitHub
matbench-genmetrics 0.2.1
Generative materials benchmarking metrics, inspired by guacamol and CDVAE.1 version - Latest release: over 1 year ago - 8 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
masci-tools 0.12.0
Collection of tools for Materials science. Focused on working with input/output from the Fleur an...12 versions - Latest release: over 1 year ago - 2 dependent packages - 18 stars on GitHub
chemml 1.2
ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling...4 versions - Latest release: about 2 years ago - 128 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
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
jarvis-tools 2022.9.16
NIST-JARVIS (Joint Automated Repository for Various Integrated Simulations) is an integrated fram...37 versions - Latest release: over 1 year ago - 1 dependent package - 272 stars on GitHub
ternary-diagram 2.1.2
This package makes it easier for you to draw beautiful ternary diagram without pymatgen.1 version - Latest release: almost 2 years ago - 8 stars on GitHub
structuregraph-helpers 0.0.9
Helpers for working with pymatgen structure graphs.2 versions - Latest release: over 1 year ago - 8 stars on GitHub
element-recognition 1.1.4
A package that organizes compositions written as strings into pandas.DataFrames, or conversely, g...1 version - Latest release: almost 2 years ago - 1 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
Top 6.5% on conda-forge.org
88 versions - Latest release: over 1 year ago - 47 dependent packages - 33 dependent repositories - 1,170 stars on GitHub
pymatgen 2022.11.7
Python Materials Genomics is a robust materials analysis code that defines core object representa...88 versions - Latest release: over 1 year ago - 47 dependent packages - 33 dependent repositories - 1,170 stars on GitHub
Related Keywords
materials-science
10
python
6
machine-learning
5
physics
3
chemistry
3
density-functional-theory
2
science
2
generative
2
materials-project
2
time-series-forecasting
2
atomistic-simulations
1
dft
1
lammps
1
md
1
mgi
1
pytorch
1
quantum-computing
1
ai
1
scikit-learn
1
tensorflow
1
vasp
1
ternary-diagrams
1
computational-materials-science
1
graph
1
pymatgen
1
structure
1
structure-graph
1
element-recognition
1
materials-design
1
materials-discoveries
1
positive-unlabeled-learning
1
materials
1
atomistic-machine-learning
1
catalysis
1
catalyst
1
computational-chemistry
1
nanotechnology
1
crystallography
1
image-processing
1
data-visualization
1
matplotlib
1
plotly
1
plots
1
uncertainty
1
uncertainty-calibration
1
abinit
1
solid-state-physics
1
electronic-structure
1
parsing
1
utility
1
visualization
1
data-science
1
deep-learning
1
drug-discovery
1
quantum-mechanics
1