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6 search results found

An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and material science.

Bgolearn ⭐ 49

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

Unsupervised learning of atomic scale dynamics from molecular dynamics.

Chemgymrl ⭐ 16

Tangelo Examples ⭐ 14

Tutorial notebooks and example scripts made with Tangelo. Any Tangelo user can suggest content and showcase their work, either by pushing on this repo or linking their work / project :)

Ml_for_kirigami_design ⭐ 9

Python package to model and to perform topology optimization for graphene kirigami using deep learning

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