kimt33 Goto Github PK

.spacemacs

My spacemacs file

ayerslab_bot

calcdb

Database for quantum chemical calculation

calculation_scripts

cardboardlint

Cheap lint solution for PRs

cheatsheet

Cheat sheets for tech stuff

chemtools-1

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

chemtools-orbpart

Orbital partitioning part of chemtools

david-scripts

David's scripts for running and reading calculations

docinstance

Docstring wrapper to inherit components from the docstrings of parent class

doorbot

effpy

Module for measuring the algorithmic efficiency of a Python function

fanpy

Framework for rapid prototyping of new wavefunction ansatz and other ab initio methods for the time-independent Schrodinger equation

fanpy_scripts

scripts for running fanpy

flik

An experimental local optimization package

for_kumru

gbasis

Python library for Gaussian basis function evaluation & integrals

githubpages-project-example

Proof of concept of using using GitHub Pages whose contents are inside a directory (e.g. docs) of the project repository

graph

horton

HORTON: Helpful Open-source Research TOol for N-fermion systems

inspectorelephant

Generalized QA tools for HORTON project

intro_to_sprinting_codeless_project

A sample "code-less" project in support of the "Intro to Sprinting" workshop.

iodata

HORTON module for I/O with different file formats

kaggle-solutions

🏅 Collection of Kaggle Solutions and Ideas 🏅

keras

Deep Learning for humans

kimt33.github.io

manifold

Test and Application of manifold methods on Chemistry.

myconfig

Configuration files in the home directory

pairing-bot

A Zulip bot that partners people for pair programming practice

paraopt

Paraopt is a simple parallel optimization toolbox.