katerinavr Goto Github PK

champs

cocrystals

data_mining_workshop

deep-svdd

Repository for the Deep One-Class Classification ICML 2018 paper

dftbaby

software package for tight-binding DFT calculations on ground and excited states of molecules

exsclaim

A toolkit for the automatic construction of self-labeled materials imaging datasets from scientific literature

gptchem

hdbscan

A high performance implementation of HDBSCAN clustering.

iqmol

IQmol is an open source molecular editor and visualization package

ml-tutes

Machine Learning with Python3 Tutorials

ndd

Drug-Drug Interaction Predicting by Neural Network Using Integrated Similarity

plot2spec

an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)

quantum_dots_lab

roadmap

A public roadmap for Streamlit

scpd-ai

Artificial Intelligence Graduate Certificate - Stanford

shap

A game theoretic approach to explain the output of any machine learning model.

streamlit

twod_materials

High throughput workflow tools for characterizing 2D materials in VASP.

urbanalyticssummerschool

Materials for a 1-day ACM Summer School on Urban Analytics