proxy.golang.org "materials-science" keyword
Top 5.6% on proxy.golang.org
1 version - Latest release: almost 6 years ago - 294 stars on GitHub
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
109 versions - Latest release: about 1 month ago - 56,105 stars on GitHub
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
109 versions - Latest release: about 1 month ago - 56,105 stars on GitHub
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
4 versions - Latest release: over 1 year ago - 1,860 stars on GitHub
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
39 versions - Latest release: 22 days ago - 185 stars on GitHub
github.com/lab-cosmo/chemiscope v1.1.1
An interactive structure/property explorer for materials and molecules39 versions - Latest release: 22 days ago - 185 stars on GitHub
Top 5.6% on proxy.golang.org
6 versions - Latest release: 3 months ago - 35 stars on GitHub
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
27 versions - Latest release: over 3 years ago - 39 stars on GitHub
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
36 versions - Latest release: about 1 month ago - 365 stars on GitHub
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
69 versions - Latest release: 3 months ago - 2,052 stars on GitHub
github.com/deepmodeling/deepmd-kit v3.2.0+incompatible
A deep learning package for many-body potential energy representation and molecular dynamics69 versions - Latest release: 3 months ago - 2,052 stars on GitHub
Top 9.6% on proxy.golang.org
30 versions - Latest release: over 1 year ago - 231 stars on GitHub
github.com/pycroscopy/atomai v0.8.1
Deep and Machine Learning for Microscopy30 versions - Latest release: over 1 year ago - 231 stars on GitHub
Top 4.7% on proxy.golang.org
41 versions - Latest release: about 1 month ago - 585 stars on GitHub
github.com/hyperspy/hyperspy v2.5.0+incompatible
Multidimensional data analysis41 versions - Latest release: about 1 month ago - 585 stars on GitHub
Top 5.6% on proxy.golang.org
21 versions - Latest release: about 1 month ago - 148 stars on GitHub
github.com/WMD-group/SMACT v4.0.2+incompatible
Python package to aid materials design and informatics21 versions - Latest release: about 1 month ago - 148 stars on GitHub
Top 5.6% on proxy.golang.org
21 versions - Latest release: about 1 month ago - 148 stars on GitHub
github.com/wmd-group/smact v4.0.2+incompatible
Python package to aid materials design and informatics21 versions - Latest release: about 1 month ago - 148 stars on GitHub
Top 5.6% on proxy.golang.org
31 versions - Latest release: over 2 years ago - 359 stars on GitHub
github.com/materialsproject/atomate2 v0.1.14
atomate2 is a library of computational materials science workflows31 versions - Latest release: over 2 years ago - 359 stars on GitHub
Top 4.5% on proxy.golang.org
3 versions - Latest release: over 1 year ago - 16 stars on GitHub
github.com/hyperspy/exspy v0.3.2
EDS and EELS data analysis with HyperSpy3 versions - Latest release: over 1 year ago - 16 stars on GitHub
Top 4.3% on proxy.golang.org
118 versions - Latest release: 3 months ago - 542 stars on GitHub
github.com/JuliaMolSim/DFTK.jl v0.8.0
Density-functional toolkit118 versions - Latest release: 3 months ago - 542 stars on GitHub
Top 4.5% on proxy.golang.org
118 versions - Latest release: 3 months ago - 545 stars on GitHub
github.com/juliamolsim/dftk.jl v0.8.0
Density-functional toolkit118 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 Python2 versions - Latest release: about 2 months ago - 643 stars on GitHub
Top 4.7% on proxy.golang.org
409 versions - Latest release: about 1 month ago - 2,003 stars on GitHub
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
9 versions - Latest release: about 1 month ago - 346 stars on GitHub
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
71 versions - Latest release: 7 months ago - 622 stars on GitHub
github.com/hackingmaterials/matminer v0.10.1
Data mining for materials science71 versions - Latest release: 7 months ago - 622 stars on GitHub
Top 5.6% on proxy.golang.org
7 versions - Latest release: over 8 years ago - 107 stars on GitHub
github.com/suncat-center/catkit v0.5.2
General purpose tools for high-throughput catalysis7 versions - Latest release: over 8 years ago - 107 stars on GitHub
Top 5.6% on proxy.golang.org
7 versions - Latest release: over 8 years ago - 107 stars on GitHub
github.com/SUNCAT-Center/CatKit v0.5.2
General purpose tools for high-throughput catalysis7 versions - Latest release: over 8 years ago - 107 stars on GitHub
Top 4.4% on proxy.golang.org
48 versions - Latest release: about 1 month ago - 123 stars on GitHub
github.com/advancedphotonsource/gsas-ii v5.8.4+incompatible
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials48 versions - Latest release: about 1 month ago - 123 stars on GitHub
Top 4.4% on proxy.golang.org
48 versions - Latest release: about 1 month ago - 123 stars on GitHub
github.com/AdvancedPhotonSource/GSAS-II v5.8.4+incompatible
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials48 versions - Latest release: about 1 month ago - 123 stars on GitHub
Top 1.0% on proxy.golang.org
109 versions - Latest release: about 1 month ago - 48,789 stars on GitHub
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
2 versions - Latest release: over 5 years ago - 221 stars on GitHub
github.com/materialsproject/matbench v0.1.1
Matbench: Benchmarks for materials science property prediction2 versions - Latest release: over 5 years ago - 221 stars on GitHub
Top 5.6% on proxy.golang.org
62 versions - Latest release: 5 months ago - 339 stars on GitHub
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
4 versions - Latest release: 5 months ago - 34 stars on GitHub
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
4 versions - Latest release: over 5 years ago - 123 stars on GitHub
github.com/materialsinnovation/pymks v0.4.1
Materials Knowledge System in Python4 versions - Latest release: over 5 years ago - 123 stars on GitHub
Top 5.6% on proxy.golang.org
9 versions - Latest release: over 2 years ago - 474 stars on GitHub
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
9 versions - Latest release: over 2 years ago - 475 stars on GitHub
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
35 versions - Latest release: over 7 years ago - 558 stars on GitHub
github.com/materialsvirtuallab/megnet v2019.4.8+incompatible
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals35 versions - Latest release: over 7 years ago - 558 stars on GitHub
Top 5.6% on proxy.golang.org
15 versions - Latest release: over 1 year ago - 466 stars on GitHub
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
16 versions - Latest release: almost 4 years ago - 332 stars on GitHub
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
7 versions - Latest release: about 6 years ago - 18 stars on GitHub
github.com/tilde-lab/tilde v0.9.6
Materials informatics framework for ab initio data repositories7 versions - Latest release: about 6 years ago - 18 stars on GitHub
Top 5.6% on proxy.golang.org
7 versions - Latest release: almost 4 years ago - 13 stars on GitHub
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
4 versions - Latest release: over 7 years ago - 7 stars on GitHub
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
4 versions - Latest release: over 7 years ago - 7 stars on GitHub
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
21 versions - Latest release: over 1 year ago - 114 stars on GitHub
github.com/ppdebreuck/modnet v0.4.5
MODNet: a framework for machine learning materials properties21 versions - Latest release: over 1 year ago - 114 stars on GitHub
Top 4.7% on proxy.golang.org
6 versions - Latest release: over 2 years ago - 280 stars on GitHub
github.com/pycroscopy/pycroscopy v0.63.3
Scientific analysis of nanoscale materials imaging data6 versions - Latest release: over 2 years ago - 280 stars on GitHub
Top 8.2% on proxy.golang.org
4 versions - Latest release: almost 4 years ago - 109 stars on GitHub
github.com/tony-y/cgnn v1.0.3
Crystal Graph Neural Networks4 versions - Latest release: almost 4 years ago - 109 stars on GitHub
Top 8.2% on proxy.golang.org
4 versions - Latest release: almost 4 years ago - 109 stars on GitHub
github.com/Tony-Y/cgnn v1.0.3
Crystal Graph Neural Networks4 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
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clinical-research
3
computational-biology
3
ab-initio
3
electronic-structure
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drug-discovery
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genomics
3
metabolomics
3
proteomics
3
scientific-visualization
3
agent-skills
3
data-visualization
3
chemoinformatics
3
spectroscopy
3
chemistry
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ai-scientist
3
bioinformatics
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electron-microscopy
2
tensorflow
2
dft
2
digital-transformation
2
physical-sciences
2
multi-dimensional
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materials-genome
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simulation-modeling
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combinatorics
2
chemical-reaction-networks
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chemical-kinetics
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chemical-engineering
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catalyst
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vasp
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catalysis-informatics
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gsas-ii
2
structure-determination
2
powder-diffraction
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neutron-diffraction
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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
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imaging
2
julia
2
kohn-sham
2
mathematical-analysis
2
numerical-analysis
2
plane-wave
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toolkit
2
graph-networks
1
crystal-generation
1
autoregressive-generative-model
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keras
1
icml-2025
1
wyckoff-position
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image-processing
1
machine-learning-force-field
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materials-discovery
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reactions
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molecular-structures
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molecular-modeling
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molecular-evolution
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materials-discoveries
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computational-science
1
cheminformatics
1
high-throughput
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automation
1
threejs
1
svelte
1
plotting
1
data-viz
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d3
1
science
1
matminer
1
wannier90
1
wannier-functions
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wannier
1