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Starred repositories
A computer algebra system written in pure Python
为GPT/GLM等LLM大语言模型提供实用化交互接口，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm3等本地模型。接入通义千问, deepseekcoder, 讯飞星火, 文心一言, llama2, rwkv, claude2, m…
A regression solver for high dimensional penalized linear, quantile and logistic regression models'
This is a modification of Scikit-Learn's LASSO for Adaptive LASSO to use for feature selection.
A modular framework for neural networks with Euclidean symmetry
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Geometry optimization code that includes the TRIC coordinate system
Graph deep learning library for materials
Functional programming for modern Fortran
This repository provides a Matlab implementation of the ADMM-based solvers for L1-L1 and L1-L2 minimization.
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Electronic transport properties from first-principles calculations
Efficiently computes derivatives of NumPy code.
Tetrahedron method for the Brillouin-zone integration in solid-state physics
Topological Insulators - Notebooks for an introductory course
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Lmod: An Environment Module System based on Lua, Reads TCL Modules, Supports a Software Hierarchy
Python toolbox for optimization on Riemannian manifolds with support for automatic differentiation
Sioyek is a PDF viewer with a focus on textbooks and research papers