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ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.
算法笔记的Codeup练习和部分PTA-Basic Level 题
DFTBpy is an open source project, intended for education and simulation, which implements and explores the DFTB/SCC-DFTB method and its features. It is developed in Python with C extensions.
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Lecture about how to implement a trajectory surface hopping code based on the Tully scheme and his model 1
This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable and frozen electron density force fields. Functionality is also present for standard point-charge based force fields, pure MM, and pure QM calculations.
C++ Programming Tutorial in Chemistry
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Resources for teaching quantum chemistry courses in Bonn
psi4/openmm
Quantum Dynamics script for the time evolution of the wavepacket in the case of the Tully article
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
Solving Schrodinger Equation Numerically
The repository provides code for running inference with the SegmentAnything Model (SAM), links for downloading the trained model checkpoints, and example notebooks that show how to use the model.
The release-only repository of the subsystem focused quantum chemistry code Serenity
Tinker: Software Tools for Molecular Design
Tutorial for TN algorithms
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.