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proxy.golang.org "materials-science" keyword

View the packages on the proxy.golang.org package registry that are tagged with the "materials-science" keyword.

Top 5.6% on proxy.golang.org
github.com/lab-cosmo/chemiscope v0.8.6
An interactive structure/property explorer for materials and molecules
25 versions - Latest release: 2 months ago - 152 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/sparks-baird/xtal2png v0.9.6
Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based m...
27 versions - Latest release: about 2 years ago - 37 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/Exabyte-io/esse v2.0.0+incompatible
JSON schemas and examples representing structural data, characteristic properties, modeling workf...
4 versions - Latest release: about 6 years ago - 7 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/materialsproject/matbench v0.1.1
Matbench: Benchmarks for materials science property prediction
2 versions - Latest release: about 4 years ago - 158 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/janosh/pymatviz v0.17.0
A toolkit for visualizations in materials informatics.
55 versions - Latest release: 8 days ago - 253 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/deepmodeling/deepmd-kit v3.1.0+incompatible
A deep learning package for many-body potential energy representation and molecular dynamics
65 versions - Latest release: about 2 months ago - 1,655 stars on GitHub
Top 6.0% on proxy.golang.org
github.com/microsoft/mattergen v1.0.3
Official implementation of MatterGen -- a generative model for inorganic materials design across ...
4 versions - Latest release: 7 days ago - 1,435 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/materialsproject/atomate2 v0.1.14
atomate2 is a library of computational materials science workflows
22 versions - Latest release: over 1 year ago - 231 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/tilde-lab/tilde v0.9.6
Materials informatics framework for ab initio data repositories
7 versions - Latest release: almost 5 years ago - 18 stars on GitHub
Top 9.6% on proxy.golang.org
github.com/pycroscopy/atomai v0.8.1
Deep and Machine Learning for Microscopy
30 versions - Latest release: about 1 month ago - 166 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/materialsvirtuallab/megnet v2019.4.8+incompatible
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
35 versions - Latest release: over 6 years ago - 529 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/suncat-center/catkit v0.5.2
General purpose tools for high-throughput catalysis
7 versions - Latest release: about 7 years ago - 94 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/SUNCAT-Center/CatKit v0.5.2
General purpose tools for high-throughput catalysis
7 versions - Latest release: about 7 years ago - 94 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/singroup/dscribe v2.1.1+incompatible
DScribe is a python package for creating machine learning descriptors for atomistic systems.
9 versions - Latest release: about 1 year ago - 428 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/SINGROUP/dscribe v2.1.1+incompatible
DScribe is a python package for creating machine learning descriptors for atomistic systems.
9 versions - Latest release: about 1 year ago - 428 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/lukasturcani/stk v2020.12.26+incompatible
A Python library which allows construction and manipulation of complex molecules, as well as auto...
1 version - Latest release: over 4 years ago - 261 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/materialsvirtuallab/maml v2025.4.1+incompatible
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep...
15 versions - Latest release: 4 months ago - 413 stars on GitHub