Daniel's repositories
chemprop-pretrained
Trained ChemProp Models
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
MatGNN
MatGNN is a GNN pipeline model for materials science discovery
matgnn_perovskites
Graph deep learning on perovskites
msen330
Git repo for MSEN 330
bofire
Experimental design and (multi-objective) bayesian optimization.
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.
materials_informatics
Examples for materials informatics
megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
modnet
MODNet: a framework for machine learning materials properties
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
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.