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Arduino Hourglass project using mpu6050 sensor

asbgcnn

bachelor-thesis

Analysing the influence of the spacial structure of catalyst molecules on their activation barrier using neural networks.

bader_visualize

Prepares an atomistic snapshot (.vtf file) with atoms colored according to their charges (beta values in VMD) from Bader program for VASP (http://theory.cm.utexas.edu/henkelman/code/bader/)

binding-site-analysis

Codes to analyze VASP CONTCAR files to identify and classify adsorption binding sites

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

coursera-ml-andrewng-notes

吴恩达老师的机器学习课程个人笔记

cybrain

Neural Networks in Cython, inspired by PyBrain.

dbm-tgp-f0

deep-learning-with-tensorflow-book

深度学习入门开源书，基于TensorFlow 2.0案例实战。Open source Deep Learning book, based on TensorFlow 2.0 framework.

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dmcg

elfnet

3D convolutional neural networks for the prediction of atomization energies

gaussianprocesses

Gaussian Processes regression with gaussian kernel implementation.

ggnormalviolin

Makes normal violin plots with specified means and standard deviations

gptutorial

Matlab code for the introduction to Gaussian processes, 2008

health_status_prediction

instantid

InstantID : Zero-shot Identity-Preserving Generation in Seconds 🔥

kernel-ridge-regression

In this exercise, we will perform kernel ridge regression (KRR) on the data set. For this exercise, you will hold out 2=3 of data for training and report the test results on the remaining 1/3.

kernel_regressions

Matlab scripts containing kernel ridge regression, with Gaussian kernel, with cross validation for parameter setting in Matlab.

kmc_wgsr_au_moc

This repository contains the Zacros input files used in my research work entitled "Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts", available at https://pubs.acs.org/doi/abs/10.1021/acscatal.9b02813.

learning-to-self-train

Learning to Self-Train for Semi-Supervised Few-Shot

machine-learning

:zap:机器学习实战（Python3）：kNN、决策树、贝叶斯、逻辑回归、SVM、线性回归、树回归

maz

metal-oxide-lasso-lo

Distributed as part of the publication "Interaction trends between single metal atoms and oxide supports identified with density functional theory and statistical learning" Nolan J. O’Connor, A S M Jonayat, Michael J. Janik*, Thomas P. Senftle*

nmr-gcn

A code to predict atomic NMR chemical shift based GCN and QM calculation

numpy-hilbert-curve

Numpy implementation of Hilbert curves in arbitrary dimensions

origination

perovskite-electronic-structure-feature-python

Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".

plotneuralnet

Latex code for making neural networks diagrams