Topic: "materials-discoveries"
tilde-lab/awesome-materials-informatics
Curated list of known efforts in materials informatics, i.e. in modern materials science
Size: 235 KB - Last synced at: 16 days ago - Pushed at: about 1 month ago - Stars: 451 - Forks: 97
lukasturcani/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Language: Python - Size: 44.8 MB - Last synced at: 18 days ago - Pushed at: 8 months ago - Stars: 266 - Forks: 51
sparks-baird/mat_discover
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
Language: Python - Size: 88.7 MB - Last synced at: 4 days ago - Pushed at: 11 months ago - Stars: 44 - Forks: 9
ncfrey/pumml
Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.
Language: Python - Size: 10.2 MB - Last synced at: 27 days ago - Pushed at: over 1 year ago - Stars: 36 - Forks: 13
sparks-baird/nomad-examples
Examples of using the Novel Materials Discovery (NOMAD) database, especially downloading all chemical formulas.
Language: Python - Size: 25.4 KB - Last synced at: 3 months ago - Pushed at: over 3 years ago - Stars: 8 - Forks: 0
buptxz/kmFCV
K-fold-m-step forward cross-validation is a new approach of evaluating extrapolation performance in materials property prediction.
Language: Python - Size: 9.57 MB - Last synced at: almost 2 years ago - Pushed at: over 6 years ago - Stars: 6 - Forks: 3
tilde-lab/optimade-client
Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
Language: TypeScript - Size: 521 KB - Last synced at: 22 days ago - Pushed at: about 2 years ago - Stars: 5 - Forks: 1
braydenbekker/EAM-MBTR
MBTR embedded atom model predictions
Size: 39.4 MB - Last synced at: almost 2 years ago - Pushed at: over 7 years ago - Stars: 0 - Forks: 0
