pypi.org "materials-discoveries" 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
pumml 0.0.2
Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised pos...2 versions - Latest release: almost 6 years ago - 1 dependent repositories - 10 downloads last month - 36 stars on GitHub - 1 maintainer
Related Keywords
materials-science
3
machine-learning
2
chemistry
2
materials-informatics
2
materials-design
2
materials-screening
2
learning
1
materials
1
science
1
DFT
1
synthesis
1
density-functional-theory
1
physics
1
positive-unlabeled-learning
1
cheminformatics
1
computational-chemistry
1
computational-science
1
molecular-evolution
1
molecular-modeling
1
molecular-structures
1
reactions
1
adaptive-design
1
bayesian-optimization
1
crabnet
1
earth-mover-distance
1
earth-movers-distance
1
matdiscover
1
materials-discovery
1
materials-project
1
numba
1
predict-materials-properties
1
python
1
pytorch
1
wasserstein
1
wasserstein-distance
1
wasserstein-metric
1
VASP
1
machine
1