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A foundational package for molecular predictive modelling
WebGL accelerated JavaScript molecular graphics library
InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
Materials for the 2023 MDAnalysis User Group Meeting
Interact with your documents using the power of GPT, 100% privately, no data leaks
Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over searching structure/activity relationships (SAR) derived from la…
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
Try PyScript: https://pyscript.com Examples: https://tinyurl.com/pyscript-examples Community: https://discord.gg/HxvBtukrg2
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
The standard data-centric AI package for data quality and machine learning with messy, real-world data and labels.
An Open-Source Molecular Builder and Free Energy Preparation Workflow
Build and share data reports in 100% Python
add-on to plotly which show molecule images on mouseover!
Curses based ASCII molecule viewer for terminals.
A collection of modern/faster/saner alternatives to common unix commands.
Some useful RDKit functions
Materials from the (virtual) 2021 RDKit UGM
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Open source code for AlphaFold.
An open access book on scientific visualization using python and matplotlib