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

proxy.golang.org "materials-science" keyword

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: almost 6 years ago - 294 stars on GitHub
Top 4.9% on proxy.golang.org
github.com/k-dense-ai/scientific-agent-skills v2.72.0+incompatible
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 250,000+...
109 versions - Latest release: about 1 month ago - 56,105 stars on GitHub
Top 4.9% on proxy.golang.org
github.com/K-Dense-AI/scientific-agent-skills v2.72.0+incompatible
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 250,000+...
109 versions - Latest release: about 1 month ago - 56,105 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: over 1 year ago - 1,860 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/lab-cosmo/chemiscope v1.1.1
An interactive structure/property explorer for materials and molecules
39 versions - Latest release: 22 days ago - 185 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/ml-evs/matador v0.12.0
⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written wit...
6 versions - Latest release: 3 months ago - 35 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: over 3 years ago - 39 stars on GitHub
Top 4.7% on proxy.golang.org
github.com/janosh/matterviz v0.8.0 💰
Interactive browser visualizations for materials science: crystal structures/molecules, trajector...
36 versions - Latest release: about 1 month ago - 365 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/deepmodeling/deepmd-kit v3.2.0+incompatible
A deep learning package for many-body potential energy representation and molecular dynamics
69 versions - Latest release: 3 months ago - 2,052 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: over 1 year ago - 231 stars on GitHub
Top 4.7% on proxy.golang.org
github.com/hyperspy/hyperspy v2.5.0+incompatible
Multidimensional data analysis
41 versions - Latest release: about 1 month ago - 585 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/WMD-group/SMACT v4.0.2+incompatible
Python package to aid materials design and informatics
21 versions - Latest release: about 1 month ago - 148 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/wmd-group/smact v4.0.2+incompatible
Python package to aid materials design and informatics
21 versions - Latest release: about 1 month ago - 148 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
31 versions - Latest release: over 2 years ago - 359 stars on GitHub
Top 4.5% on proxy.golang.org
github.com/hyperspy/exspy v0.3.2
EDS and EELS data analysis with HyperSpy
3 versions - Latest release: over 1 year ago - 16 stars on GitHub
Top 4.3% on proxy.golang.org
github.com/JuliaMolSim/DFTK.jl v0.8.0
Density-functional toolkit
118 versions - Latest release: 3 months ago - 542 stars on GitHub
Top 4.5% on proxy.golang.org
github.com/juliamolsim/dftk.jl v0.8.0
Density-functional toolkit
118 versions - Latest release: 3 months ago - 545 stars on GitHub
github.com/usnistgov/fipy v0.0.0-20260918140553-0eca65c4732d removed
FiPy is a Finite Volume PDE solver written in Python
2 versions - Latest release: about 2 months ago - 643 stars on GitHub
Top 4.7% on proxy.golang.org
github.com/materialsproject/pymatgen v2026.9.24+incompatible
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for...
409 versions - Latest release: about 1 month ago - 2,003 stars on GitHub
Top 4.0% on proxy.golang.org
github.com/wannier-developers/wannier90 v4.0.3+incompatible
Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalon...
9 versions - Latest release: about 1 month ago - 346 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/hackingmaterials/matminer v0.10.1
Data mining for materials science
71 versions - Latest release: 7 months ago - 622 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: over 8 years ago - 107 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: over 8 years ago - 107 stars on GitHub
Top 4.4% on proxy.golang.org
github.com/advancedphotonsource/gsas-ii v5.8.4+incompatible
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
48 versions - Latest release: about 1 month ago - 123 stars on GitHub
Top 4.4% on proxy.golang.org
github.com/AdvancedPhotonSource/GSAS-II v5.8.4+incompatible
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
48 versions - Latest release: about 1 month ago - 123 stars on GitHub
Top 1.0% on proxy.golang.org
github.com/k-dense-ai/claude-scientific-skills v2.72.0+incompatible
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 250,000+...
109 versions - Latest release: about 1 month ago - 48,789 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: over 5 years ago - 221 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/janosh/pymatviz v0.18.0 💰
A toolkit for visualizations in materials informatics.
62 versions - Latest release: 5 months ago - 339 stars on GitHub
Top 6.4% on proxy.golang.org
github.com/symmetryadvantage/wyckofftransformer v1.0.7
Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]
4 versions - Latest release: 5 months ago - 34 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/materialsinnovation/pymks v0.4.1
Materials Knowledge System in Python
4 versions - Latest release: over 5 years ago - 123 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: over 2 years ago - 474 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: over 2 years ago - 475 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 7 years ago - 558 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: over 1 year ago - 466 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/materialsvirtuallab/m3gnet v0.2.4
Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a ...
16 versions - Latest release: almost 4 years ago - 332 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: about 6 years ago - 18 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/sparks-baird/mp-time-split v0.2.1
Use time-splits for Materials Project entries for generative modeling benchmarking.
7 versions - Latest release: almost 4 years ago - 13 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: over 7 years ago - 7 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: over 7 years ago - 7 stars on GitHub
Top 5.6% on proxy.golang.org
github.com/ppdebreuck/modnet v0.4.5
MODNet: a framework for machine learning materials properties
21 versions - Latest release: over 1 year ago - 114 stars on GitHub
Top 4.7% on proxy.golang.org
github.com/pycroscopy/pycroscopy v0.63.3
Scientific analysis of nanoscale materials imaging data
6 versions - Latest release: over 2 years ago - 280 stars on GitHub
Top 8.2% on proxy.golang.org
github.com/tony-y/cgnn v1.0.3
Crystal Graph Neural Networks
4 versions - Latest release: almost 4 years ago - 109 stars on GitHub
Top 8.2% on proxy.golang.org
github.com/Tony-Y/cgnn v1.0.3
Crystal Graph Neural Networks
4 versions - Latest release: almost 4 years ago - 109 stars on GitHub
Related Keywords
machine-learning 17 materials-informatics 11 python 11 computational-chemistry 9 deep-learning 7 materials-design 6 data-analysis 5 materials 5 pytorch 4 density-functional-theory 4 crystallography 4 scientific-computing 4 data-mining 3 claude 3 claude-skills 3 claudecode 3 materials-screening 3 clinical-research 3 computational-biology 3 ab-initio 3 electronic-structure 3 drug-discovery 3 genomics 3 metabolomics 3 proteomics 3 scientific-visualization 3 agent-skills 3 data-visualization 3 chemoinformatics 3 spectroscopy 3 chemistry 3 ai-scientist 3 bioinformatics 3 electron-microscopy 2 tensorflow 2 dft 2 digital-transformation 2 physical-sciences 2 multi-dimensional 2 materials-genome 2 simulation-modeling 2 combinatorics 2 chemical-reaction-networks 2 chemical-kinetics 2 chemical-engineering 2 catalyst 2 vasp 2 catalysis-informatics 2 gsas-ii 2 structure-determination 2 powder-diffraction 2 neutron-diffraction 2 colab-notebook 2 visualization 2 graph-convolutional-networks 2 graph-neural-networks 2 graph-theory 2 neural-networks 2 oqmd 2 atomistic-systems 2 descriptors 2 condensed-matter 2 scanning-probe-microscopy 2 data-science 2 microscopy 2 imaging 2 julia 2 kohn-sham 2 mathematical-analysis 2 numerical-analysis 2 plane-wave 2 toolkit 2 graph-networks 1 crystal-generation 1 autoregressive-generative-model 1 keras 1 icml-2025 1 wyckoff-position 1 image-processing 1 machine-learning-force-field 1 materials-discovery 1 reactions 1 molecular-structures 1 molecular-modeling 1 molecular-evolution 1 materials-discoveries 1 computational-science 1 cheminformatics 1 high-throughput 1 automation 1 threejs 1 svelte 1 plotting 1 data-viz 1 d3 1 science 1 matminer 1 wannier90 1 wannier-functions 1 wannier 1