dwillhelm Goto Github PK

ai504-deeplearningresource

Programming for AI Practice

atlas

A brain for self-driving laboratories

barefoot-framework

Batch Bayesian Optimization within the Model Reification and Fusion Framework

bbo-rietveld

Automated crystal structure analysis based on blackbox optimisation

bofire

Experimental design and (multi-objective) bayesian optimization.

chemprop-pretrained

Trained ChemProp Models

cota-karts

cv-instance-segmentation

deephetml

dig

A library for graph deep learning research

git-scm.com

The git-scm.com website. Note that this repository is only for the website; issues with git itself should go to https://git-scm.com/community.

hetml

Framework to develop and deploy machine learning models that predict material properties of van der Waal heterostructures

materials_informatics

Examples for materials informatics

matgnn

MatGNN is a GNN pipeline model for materials science discovery

matgnn_perovskites

Graph deep learning on perovskites

megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

modnet

MODNet: a framework for machine learning materials properties

msen330

Git repo for MSEN 330

msen_670

Resource for MSEN 670 class Computational Material Science

polymer-nlp

py-msen

A collection of python scripts, modules, classes, functions, etc. that I've built during my PhD work and collected here. This repo is not a package, it just a place to save and share the code. Will add more code as I find it and clean it up.

pyxtal

A code to generate atomic structure with symmetry

qgroup

Qian Group Repo

quiffen

Quiffen is a Python package for parsing QIF (Quicken Interchange Format) files.

random

Random Stuff

segment-everything-everywhere-all-at-once

Official implementation of the paper "Segment Everything Everywhere All at Once"

stoned-selfies

This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

streamlit-cropper

A simple image cropper for Streamlit

streamlit-drawable-canvas

Do you like Quick, Draw? Well what if you could train/predict doodles drawn inside Streamlit? Also draws lines, circles and boxes over background images for annotation.

test_obs