StrachanGroup
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gst_nnp
gst_nnp PublicProduction directories for neural network potential (NNP) training, optimization, and analysis of GeSbTe alloys
C++
Repositories
- Birck-Digital-Twin Public
StrachanGroup/Birck-Digital-Twin’s past year of commit activity - MeltCastExplore Public
This repository contains compiled experimental data, model development code and scripts for running a genetic algorithm for discovery of melt castable molecular materials.
StrachanGroup/MeltCastExplore’s past year of commit activity - SustainabilityModelling Public
Code for developing machine learning models to predict several sustainability metrics for molecular materials.
StrachanGroup/SustainabilityModelling’s past year of commit activity - CondPhaseChemModeler Public
StrachanGroup/CondPhaseChemModeler’s past year of commit activity - DataExtractionFromPublications Public
Code supporting "Data Extraction from Publications’ Text and Tables Using Large Language Models: Formulation Information and Mechanical Properties of Complex, Composite Materials"
StrachanGroup/DataExtractionFromPublications’s past year of commit activity - FusedMultiTask Public
Code for training multi-task models using fused molecular embeddings from single-task D-MPNN models within the chemprop framework.
StrachanGroup/FusedMultiTask’s past year of commit activity - OpenAI_LAMMPS Public
StrachanGroup/OpenAI_LAMMPS’s past year of commit activity - MultiTaskEM Public
Code and data for development of multi-task multi-fidelity neural networks for properties of energetic materials.
StrachanGroup/MultiTaskEM’s past year of commit activity - PANStabilizationSimulator Public
StrachanGroup/PANStabilizationSimulator’s past year of commit activity
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