Highlights
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Stars
Unofficial Youtube Music Desktop App, with LastFM support.
Web Molecular Toolkit: cheminformatics functionality in TypeScript
Simple reusable React error boundary component
AI4Green is an Electronic Laboratory Notebook which combines data storage and sharing while promoting green and sustainable chemistry.
Multiple walker supervised molecular dynamics is now scalable and can run with NAMD, GROMACS and ACEMD.
Simple, lightweight package for genetic algorithms on molecules
This is a React PWA Template with setup of core libraries like unstated, axios, moments etc.
Perform QSAR and visualisation operations in the browser. Still under very active development, thus things might break at any point, and if you do find things breaking, please consider opening a pu…
Random forests ported to Javascript with WebAssembly and WebWorkers
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
Code to perform scaffold hopping and virtual screening using WHALES descriptors.
andiac / gemini-cam
Forked from anishathalye/geminiA Beamerposter template with University of Cambridge logo and colors. It is forked from Gemini.
A very fast visualization library for large, high-dimensional data sets.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
An Open-Source Molecular Builder and Free Energy Preparation Workflow
Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
I want to learn Rust and Deep Learning ML so here we are.
A Python library for structural cheminformatics
Layout Maker for Well Plates for use Presentations