pypi.org "materials-screening" keyword
Top 6.2% on pypi.org
124 versions - Latest release: 12 days ago - 8 dependent packages - 5 dependent repositories - 5.56 thousand downloads last month - 294 stars on GitHub - 2 maintainers
stk 2026.10.25.0 💰
Automatic molecular construction and design.124 versions - Latest release: 12 days ago - 8 dependent packages - 5 dependent repositories - 5.56 thousand downloads last month - 294 stars on GitHub - 2 maintainers
mat_discover 2.2.9
Data-driven materials discovery based on composition or structure.33 versions - Latest release: over 3 years ago - 178 downloads last month - 47 stars on GitHub - 1 maintainer
crabnet 2.0.8
Predict materials properties using only the composition information.37 versions - Latest release: almost 4 years ago - 2 dependent packages - 1 dependent repositories - 234 downloads last month - 18 stars on GitHub - 1 maintainer
Top 8.3% on pypi.org
33 versions - Latest release: about 1 month ago - 1 dependent package - 2 dependent repositories - 17.8 thousand downloads last month - 148 stars on GitHub - 4 maintainers
smact 4.0.2
Semiconducting Materials by Analogy and Chemical Theory33 versions - Latest release: about 1 month ago - 1 dependent package - 2 dependent repositories - 17.8 thousand downloads last month - 148 stars on GitHub - 4 maintainers
Related Keywords
materials-science
4
machine-learning
3
materials-informatics
3
python
3
computational-chemistry
2
materials-design
2
pytorch
2
materials-discoveries
2
materials-discovery
2
predict-materials-properties
2
attention-mechanism
1
materials-genome
1
self-attention
1
materials
1
cheminformatics
1
chemistry
1
computational-science
1
molecular-evolution
1
molecular-modeling
1
molecular-structures
1
reactions
1
attention-is-all-you-need
1
wasserstein-metric
1
wasserstein-distance
1
wasserstein
1
numba
1
materials-project
1
matdiscover
1
earth-movers-distance
1
earth-mover-distance
1
crabnet
1
bayesian-optimization
1
adaptive-design
1