pypi.org "materials-discovery" keyword
View the packages on the pypi.org package registry that are tagged with the "materials-discovery" keyword.
Top 9.7% on pypi.org
19 versions - Latest release: 18 days ago - 1 dependent package - 1 dependent repositories - 1.51 thousand downloads last month - 330 stars on GitHub - 2 maintainers
maml 2025.4.3
MAterials Machine Learning (maml) is a machine learning library for materials science.19 versions - Latest release: 18 days ago - 1 dependent package - 1 dependent repositories - 1.51 thousand downloads last month - 330 stars on GitHub - 2 maintainers
matbench-discovery 1.3.1 💰
A benchmark for machine learning energy models on inorganic crystal stability prediction from unr...10 versions - Latest release: 7 months ago - 985 downloads last month - 141 stars on GitHub - 1 maintainer
mat_discover 2.2.9
Data-driven materials discovery based on composition or structure.33 versions - Latest release: almost 2 years ago - 813 downloads last month - 39 stars on GitHub - 1 maintainer
evomatic 0.0.6
Evolutionary algorithm for development of alloy materials7 versions - Latest release: over 2 years ago - 163 downloads last month - 3 stars on GitHub - 1 maintainer
crabnet 2.0.8
Predict materials properties using only the composition information.37 versions - Latest release: over 2 years ago - 2 dependent packages - 1 dependent repositories - 958 downloads last month - 11 stars on GitHub - 1 maintainer
ml-matrics 0.3.0 removed
Metrics and visualizations for model performance in data-driven materials discovery18 versions - Latest release: about 3 years ago - 1 dependent repositories
Related Keywords
machine-learning
5
materials-science
4
materials-informatics
3
interatomic potential
2
materials-screening
2
machine learning
2
predict-materials-properties
2
python
2
bayesian-optimization
2
pytorch
2
materials
1
materials-discoveries
1
materials-project
1
numba
1
wasserstein
1
wasserstein-distance
1
wasserstein-metric
1
alloys
1
evolutionary-algorithms
1
genetic-algorithm
1
attention-is-all-you-need
1
attention-mechanism
1
materials-genome
1
self-attention
1
metrics
1
plots
1
visualizations
1
model-performance
1
force field
1
science
1
property prediction
1
AI
1
graph
1
deep learning
1
deep-learning
1
machine-learning-force-field
1
spectroscopy
1
Bayesian optimization
1
convex hull
1
high-throughput search
1
inorganic crystal stability
1
materials discovery
1
convex-hull
1
high-throughput-search
1
interatomic-potential
1
adaptive-design
1
crabnet
1
earth-mover-distance
1
earth-movers-distance
1
matdiscover
1