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Name: Sun
Type: User
Bio: Medicinal Chemistry
Location: Australia
Name: Sun
Type: User
Bio: Medicinal Chemistry
Location: Australia
structures and data for https://doi.org/10.1039/D1SC03472C
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
Open source code for AlphaFold.
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen
Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another notebook to finish the simulaiton on Colab was attached as well.
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Software package for computer aided synthesis planning
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
This repo includes ChatGPT prompt curation to use ChatGPT better.
👩💻👨💻 Awesome cheatsheets for popular programming languages, frameworks and development tools. They include everything you should know in one single file.
This repository contains best profile readme's for your reference.
A collection of awesome readme templates to display on your profile
A curated list of Python packages related to chemistry
A curated list of resources for machine learning for small-molecule drug discovery
Run your code in the cloud, with technology so advanced, it feels like magic!
To use alongside with Ambertools-OpenMM-MD
It can hardly goes wrong, classic and stable. pocket finding, protein prep, ligand prep, docking, online view
Global repository for all the BioExcel Building Blocks Workflows
a collection of colabs useful for molecular biology
Jupyter notebooks working under a minimal environment to perform meta-analyses using multiple MD simulations from the MD repository 'BioExcel-Covid19' (https://bioexcel-cv19.bsc.es)
Biomolecular Reaction & Interaction Dynamics Global Environment
This is an online tool to calculate partial charge distribution of a small molecule with quantum chemistry package Psi4, Bromide and iodine contained structure supported.
ChEMBL database structure pipelines
Electronic Lab Notebook
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.