Logan Ward's repositories
daisy-game
Website for the Daisy game
torchani
Accurate Neural Network Potential on PyTorch
play-by-post-helper
A Bot to assist playing RPGs on Discord
COSMA
Distributed Communication-Optimal Matrix-Matrix Multiplication Algorithm
parsl
Parsl - Parallel Scripting Library
cp2k
Quantum chemistry and solid state physics software package
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
progpy
The NASA Prognostic Python Packages is a Python framework focused on defining and building models and algorit for prognostics (computation of remaining useful life) of engineering systems, and provides a set of models and algorithms for select components developed within this framework, suitable for use in prognostic applications.
birding-webpage
Display the birds I have photographed
minimal-mpnn
A minimal message-passing neural network for molecular properties
COBOL
Chemistry Oriented Bayesian Optimization Library
foundry
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
funcX
funcX: High Performance Function Serving for Science
ai-project-template
Project layout for efficient AI for science
bayesian-nest
Fit a statistical model to the HVAC performance of my house
proxystore
Python Lazy Object Proxy Interface for Distributed Stores
final-project-help-scripts
Scripts intended to help students in Applied AI for Materials with their final projects.
applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
machine-learning-intro
Notebooks used to introduce scientists to machine learning
ml-quaternary-heuslers
Using machine learning to predict new quaternary Heusler materials
coi-table-generator
Utility script for generating conflict of interest tables for grants
QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
toolbox
Toolbox is a collection of the Materials Data Facility tools and utilities.
2019-nCoVdata
Repository to create Read the Docs pages listing datasets
pipeline_prototype
Pipeline prototyping