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design-tutorial

Tutorial materials used by Design subgroup for the ECP Annual Meeting

dive-into-dl-pytorch

本项目将《动手学深度学习》(Dive into Deep Learning)原书中的MXNet实现改为PyTorch实现。

gae-pytorch

Graph Auto-Encoder in PyTorch

ibmyes

intro-numerical-methods

Jupyter notebooks and other materials developed for the Columbia course APMA 4300

libpku

贵校课程资料民间整理

ml2022-spring

**Official** 李宏毅 (Hung-yi Lee) 機器學習 Machine Learning 2022 Spring

mpnn

Open source implementation of "Neural Message Passing for Quantum Chemistry"

nmr_mpnn

Neural Message Passing for NMR Chemical Shift Prediction

openfermion

The electronic structure package for quantum computers.

pydata-book

Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

pyfitit

Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.

sicp-py-zh

:book:【译】UCB CS61a SICP Python

statistical-learning-method_code

手写实现李航《统计学习方法》书中全部算法

streamz

Real-time stream processing for python

talos

Hyperparameter Optimization for Keras Models

training-assignments-simple

vasp

Python program to evaluate off-resonance Raman activity using VASP code as the backend.