#

mlmd

Here are 2 public repositories matching this topic...

Bin-Cao / Bgolearn

A Bayesian global optimization package for material design ｜ Adaptive Learning | Active Learning

material-design materials knowledge-gradient adaptive-learning materials-science materials-informatics active-learning expected-improvement upper-confidence-bound opportunity-cost bayesian-global-optimization predictive-entropy-search mlmd probability-of-improvement least-confidence margin-sampling entropy-based-approach augmented-expected-improvement trail-path bgolearn

Updated May 21, 2024
Jupyter Notebook

selvachandrasekaranselvaraj / AtomicAI

Machine learning force fields and classification of atoms in a complex MD trajectory

Updated May 7, 2023
Python

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