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This tutorial aims to illustrate the process of setting up a simulation system containing a protein in complex with a ligand, step by step, using the BioExcel Building Blocks library (biobb).
This tutorials aim to illustrate the process of protein-ligand docking, step by step, using the BioExcel Building Blocks library (biobb).
An interoperable Python framework for biomolecular simulation.
cheminformatics tutorials
Android port of Boost C++ Libraries
Tools for hacking your car
🔮 ChatGPT Desktop Application (Mac, Windows and Linux)
This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.
ChEMBL database structure pipelines
ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.
A framework for 3D molecular fields calculations
Robust and stable clustering of molecular dynamics simulation trajectories.
Consensus pharmacophore for Drug Design
dr_sasa plot script
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Schrodinger-developed 2D Coordinate Generation
Copernicus
A macromolecule visualization tool written in C++ and OpenGL
Biomolecular simulation trajectory/data analysis.
Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 400 universities from 60 countries including Stanford, MIT, Harvard, and Cambridge.
Interactive data analysis and visualisation with chemical intelligence
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Descriptor computation(chemistry) and (optional) storage for machine learning
A Euclidean diffusion model for structure-based drug design.
A Python frontend to the LigPlot+ program, allowing batch processing of Protein Data Bank (PDB) files through the DIMPLOT algorithm.
Deep learning for molecules and materials book
an integrated tool for molecular docking and virtual screening
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.