【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction

This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'

A curated list of awesome Matlab frameworks, libraries and software.

21 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/

Minimal examples of data structures and algorithms in Python

机器学习算法python实现

Public development project of the LAMMPS MD software package

A deep learning package for many-body potential energy representation and molecular dynamics

《动手学深度学习》：面向中文读者、能运行、可讨论。中英文版被70多个国家的500多所大学用于教学。

An R package that facilitates multi-model ensembles for lake thermodynamics. Also includes tools for calibration, sensitivity analysis and data visualization.

LiCSBAS: InSAR time series analysis package using LiCSAR products