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30daymakecppserver

30天自制C++服务器，包含教程和源代码

activelearningframework

Bachelor Thesis of Meret Unbehaun, Topic: Active Learning strategies for Machine Learned potentials

ai-for-nlp-course

ai-science-training-series

ai_science_engineering

This repository is the official project page of the course AI in the Sciences and Engineering, ETH Zurich.

aimnet

Atoms In Molecules Neural Network Potential

alf

A framework for performing active learning for training machine-learned interatomic potentials.

algorithm_interview_notes-chinese

2018/2019/校招/春招/秋招/算法/机器学习(Machine Learning)/深度学习(Deep Learning)/自然语言处理(NLP)/C/C++/Python/面试笔记

algorithms

面试刷题：LeetCode, 剑指offer等-用Python语言实现

algorithmsbypython

算法/数据结构/Python/剑指offer/机器学习/leetcode

alignn

Atomistic Line Graph Neural Network

aml

Active learning; Query by committee; Ensemble averaging; Committee machines; Neural Network Potentials

ann

neural network potentials for atomistic simulations

asap

ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.

asemtp

ASE calculator interface for moment tensor potential

atomify

Atomify - a realtime LAMMPS visualizer

atomistic-simulation-tutorial

Atomistic simulation hands on tutorial on Matlantis

atomnn

autoforce

Sparse Gaussian Process Potentials

awesome-equivariant-network

Paper list for equivariant neural network

awesome-python-books

:books: Directory of Python books

blox

BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials

botorch

Bayesian optimization in PyTorch

c

Collection of various algorithms in mathematics, machine learning, computer science, physics, etc implemented in C for educational purposes.

c-plus-plus

Collection of various algorithms in mathematics, machine learning, computer science and physics implemented in C++ for educational purposes.

c-programming-a-modern-approach

Solutions to exercises and projects in the textbook C Programming: A Modern Approach, 2nd Edition.

cace

casestudies

Understanding Molecular Simulations: From Algorithms to Applications

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling

clang-tutorial

C 语言教程