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dft-dutoit Follow

Overview Repositories 6 Projects 0 Packages 0 Stars 15

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dft-dutoit

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Daniel Thomas du Toit dft-dutoit

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PhD Student at University of Oxford, creating Machine Learning tools for materials chemistry

12 followers · 6 following

University of Oxford
Oxford
15:38 (UTC +01:00)

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Overview Repositories 6 Projects 0 Packages 0 Stars 15

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All Jupyter Notebook Shell Python C++ Fortran

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synthetic-distillation Public

Repository for data and figure generation used in "Distillation of atomistic foundation models across architectures and chemical domains"

Jupyter Notebook 5 1 Updated Jun 12, 2025
imat-machine-learning Public

Shell GNU General Public License v3.0 Updated Nov 21, 2024
XPOT Public

Cross-platform Optimizer for ML Interatomic Potentials

Python 19 1 GNU General Public License v2.0 Updated Nov 12, 2024
python-ace Public
Forked from ICAMS/python-ace

C++ Other Updated Sep 12, 2024
FitSNAP Public
Forked from FitSNAP/FitSNAP

Software for generating SNAP machine-learning interatomic potentials

Python GNU General Public License v2.0 Updated Nov 12, 2021
QUIP Public
Forked from libAtoms/QUIP

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

Fortran Updated Oct 26, 2021

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