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chembl_ikey

InChiKey generation algorithm with python

chemps2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry

china-city-subway-csv

Chinese city subway database in csv format

conquest_of_happiness

by Russel

context-aware-multi-modal-transportation-recommendation

KDD CUP 2019 Baseline

coursera_ml_solution

programming excercise solutions for machine learning in coursera delivered by Andrew Ng

cupy

NumPy-like API accelerated with CUDA

data_structure_mooc

OJ solution for THU Data Structure MOOC

deepqmc

Deep learning quantum Monte Carlo for electrons in real space

dual_vector_foil

A dual vector foil (二向箔) that squashes any python objects into your console

fast_mergesort

A mergesort implementation that is faster than quicksort

ipeps

2D ipeps code, including simple, full and variational update:https://arxiv.org/abs/1711.07584

liwt31.github.io

Personal Blog

master

msp430g2553_game_boy

Final project of Computer Hardware course in THU

nim

Nim is a compiled, garbage-collected systems programming language with a design that focuses on efficiency, expressiveness, and elegance (in that order of priority).

npython

(Subset of) Python programming language implemented in Nim

npython-demo

online demo for NPython

numpy

Numpy main repository

numpy-sort-benchmark

Benchmark result for numpy sorting algorithms

opt_einsum

⚡️Optimizing NumPy's einsum function with order optimization and GPU support.

pdir2

Pretty dir() printing with joy:beer:

pinyin

A toy pinyin input method by C++. Homework @ THU

print_tree

Python tree printer that works

ptranking

Learning to Rank in PyTorch

publications

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pyscf

Python module for quantum chemistry

pytenet

Python implementation of quantum tensor network operations and simulations: matrix product states and operators, TDVP time evolution, support for quantum numbers, ...

qc-contest-demo