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Huziel E. Sauceda's Projects

ad-kernels icon ad-kernels

Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"

deepqmc icon deepqmc

Deep learning quantum Monte Carlo for electrons in real space

i-pi icon i-pi

i-PI: a universal force engine

jade-namd-qed icon jade-namd-qed

Ab initio polariton dynamics with the mix-quantum-classical methods

ml-from-scratch icon ml-from-scratch

Machine Learning From Scratch. Bare bones NumPy implementations of machine learning models and algorithms with a focus on accessibility. Aims to cover everything from linear regression to deep learning.

ml_qmc_force icon ml_qmc_force

Repo for obtaining qmc level force from neural network model

mlff icon mlff

Build neural networks for machine learning force fields with JAX

psi4 icon psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

pythonpiano icon pythonpiano

Python Piano code as well as accompanying font and sound assets

sgdml icon sgdml

sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model

vfkm icon vfkm

Vector Field K-Means Implementation

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