wardlt Goto Github PK

2019-ncovdata

Repository to create Read the Docs pages listing datasets

active-learning

ai-project-template

Project layout for efficient AI for science

ai4sciencetutorial

A tutorial for students that surveys basic ML techniques in ipython notebook format.

applied-ai-for-materials

Course materials for "Applied AI for Materials Science and Engineering"

bayesian-nest

Fit a statistical model to the HVAC performance of my house

birding-webpage

Display the birds I have photographed

catkit

General purpose tools for high-throughput catalysis

ci-magicmirror

A display that uses deep learning and a webcam to greet people

cobalt

HPC job management suite supporting compute clusters and the IBM BlueGene series. Mirror of git repository at Argonne.

cobol

Chemistry Oriented Bayesian Optimization Library

coi-table-generator

Utility script for generating conflict of interest tables for grants

cosma

Distributed Communication-Optimal Matrix-Matrix Multiplication Algorithm

cp2k

Quantum chemistry and solid state physics software package

data-schemas

elemnet

ElemNet is a 17-layered fully connected network for the prediction of formation energy (enthalpy) from elemental compositions only. This repository contains the model weights and a Jupiter notebook for making predictions using the ElemNet model.

expr

Evaluate mathematical expressions in Java

final-project-help-scripts

Scripts intended to help students in Applied AI for Materials with their final projects.

fitbit-fthr

Some notebooks for analyzing heart rate data from my Fitbit

foundry

Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry

funcx

funcX: High Performance Function Serving for Science

gladier-test

globus-labs

home_run

keras

Deep Learning for humans

keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.

lolo

A random forest

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

machine-learning-intro

Notebooks used to introduce scientists to machine learning

mast-ml

MAST machine learning incubator - for direct scientific use