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ali-tehrani.github.io

A minimal, sidebar, responsive web design Jekyll theme that focuses on text presentation.

bfit

Fit a convex sum of positive basis functions to any probability distribution

chemtools

A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.

chemtoolscuda

High performance CUDA/Python Library For Computing Quantum Chemistry Density-Based Descriptors For Larger Systems Using GPUs

densitymatrices

2DM for CHEM 770 project

diverseselector

Methods for selecting diverse (molecular) database.

gbasis

Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.

grid

Python Library for Numerical Molecular Integration.

gsoc

iodata

A Python Library for Reading, Writing, and Converting Computational Chemistry File Formats

isosurface_triangulator

mcmasterfinance

This is used for the McMaster Finance Team. By James He and Ali Tehrani

mlkrr

Code for the Metric Learning for Kernel Ridge Regression algorithm

procrustes

pyqcodes

Python-based software for investigating coherent information and optimization-based quantum error-correcting codes.