CCSun21

SHRY

SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ordered structures corresponding to a given disordered structure.

SHRY

staticrypt

Password protect a static HTML page, decrypted in-browser in JS with no dependency. No server logic needed.

pygmo2

A Python platform to perform parallel computations of optimisation tasks (global and local) via the asynchronous generalized island model.

sod

Site-Occupation Disorder

irc

Transfrormation between Cartesian coordinates and redundant internal coordinates

janus-core

ExPyRe

Execute Python Remotely

workflow

python workflow toolkit

PyEnergyDiagrams

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

segment-anything-2

The repository provides code for running inference with the Meta Segment Anything Model 2 (SAM 2), links for downloading the trained model checkpoints, and example notebooks that show how to use the model.

kimmdy

Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

grappa

A Machine Learned Molecular Mechanics Force Field with integration into GROMACS and OpenMM

sh

Python process launching

xxHash

Extremely fast non-cryptographic hash algorithm

open-saas

A free, open-source SaaS app starter for React & Node.js with superpowers. Production-ready. Community-driven.

GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

askaitools-community-edition

A cutting-edge search engine project tailored specifically for the AI product

webui

Use any web browser or WebView as GUI, with your preferred language in the backend and modern web technologies in the frontend, all in a lightweight portable library.

certificates

🛡️ A private certificate authority (X.509 & SSH) & ACME server for secure automated certificate management, so you can use TLS everywhere & SSO for SSH.

https-portal

A fully automated HTTPS server powered by Nginx, Let's Encrypt and Docker.

text-editor

A text editor build on the Native File System APIs

ChemTSv2

Refined and extended version of ChemTS

all-docs-vue

"All Docs" is a tool that enables online previewing, storage, and sharing of documents such as Word, Excel, PowerPoint, PDF, and images (Pic). It supports full-text search for all document information. “全文档”(All Docs)，Word, Excel, PPT, PDF, Pic等文档在线预览、存储、共享的工具，并且支持全文搜索的所有的文档信息。

hdrl-fp

python-ace

calphy

A Python library and command line interface for automated free energy calculations

panoramic-image-stitching

Create panorama image using invariant features from given set of overlapping images.

streamlit_tree_select

A simple and elegant checkbox tree for Streamlit.

streamlit-elements

Create a draggable and resizable dashboard in Streamlit, featuring Material UI widgets, Monaco editor (Visual Studio Code), Nivo charts, and more!