ALCHEMI Toolkit-Ops is a collection of optimized batch kernels to accelerate computational chemistry and material science workflows.

Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs

sshpass with TOTP support

Windows inside a Docker container.

GPU 集群用户指南

Train, fine-tune, and manipulate machine learning models for atomistic systems

一款跳过小电视视频中恰饭片段的浏览器插件，移植自 SponsorBlock。A browser extension to skip sponsored segments in videos, ported from the SponsorBlock

Enable Apple Intelligence on Macs sold in Mainland China with SIP enabled, tested on MacOS 15.4.1+ and 26+

Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).

提供多款 Shadowrocket 规则，拥有强劲的广告过滤功能。每日 8 时重新构建规则。

Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".

PyTorch Autodiff DFT-D4 Implementation.

A modern GUI client based on Tauri, designed to run in Windows, macOS and Linux for tailored proxy experience

The one and only one gfwlist here

👥 轻松创建研究组或组织网站 Easily create a stunning Research Group, Team, or Business Website with no-code

Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor

Static typing support for the array API standard

ASCII generator (image to text, image to image, video to video)

NequIP is a code for building E(3)-equivariant interatomic potentials

Efficient And Fully Differentiable Extended Tight-Binding

A collection of Neural Network Models for chemistry

MOPAC wrapper providing the PM6-ML correction

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

A simple pip-installable Python tool to generate your own HTML citation world map from your Google Scholar ID.

This is a simple script to plot energy profile diagrams using Python and matplotlib.

臸娥粂陆亩竟

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.