hacked code to bicluster molecules using rdkit and scikitlearn
Aplicação web interativa de divulgação científica desenvolvida para a Ilum para construção de moléculas e simulação de estabilidade térmica em um ambiente lúdico e didático para o Ciência Aberta do CNPEM.
This is just a follow along tutorial from a blog where I got introduced to the atomic-design principles and tried to test it on with React. credits: https://dev.to/sanfra1407/how-to-organize-your-components-using-the-atomic-design-dj3#atomic-design
Windows 10 Stand-Alone Application: Create SVG Biology Drawings
LLM benchmark for property prediction of proteins, protein pairs, and small molecules. Tasks from PEER, CALM, and MoleculeACE with regression, binary, binned, multiclass, and multilabel framings.
Bash Script to iterate through .TIF Images in a folder and run the OSRA program to attempt to convert the TIF images into ChemDraw files (.CDXML).
Here I have tried a very simple simulation the motion of a homonuclear diatomic molecule. This includes rotational motion, vibrational motion and translational motion.
This project aims to propose an interactive study idea to all chemistry enthusiasts
Interactive chemistry learning app with 3D molecule visualization, courses, and AI assistant
Hydrogen Abstraction Transition State Explorer (HyATraX)
A collection of the Chemical JSON files ive made
Hand-controlled 3D molecule lab — single-file HTML app using MediaPipe Hands + Three.js. Webcam gestures rotate, scale, and pick atoms across six textbook molecules.
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