chemical graph theory library for JavaScript
☆105Sep 23, 2026Updated this week
Alternatives and similar repositories for molecules
Users that are interested in molecules are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The development of a free (MIT licensed) tool for drawing molecules and reactions☆10Dec 27, 2013Updated 12 years ago
- A Javascript cheminformatics toolkit.☆279Updated this week
- A C++ library for molecular modelling, cheminformatics and molecular visualization.☆55Jun 21, 2022Updated 4 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- An experimental project to recompile native chemoinformatics libs into JavaScript.☆19Sep 24, 2025Updated 11 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Generate canonical molecule identifiers for quantum chemistry database☆23May 17, 2021Updated 5 years ago
- CH485 - Artificial Intelligence and Chemistry☆14Jan 1, 2020Updated 6 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- Javascript Reaction Editor and Cheminformatics Library☆14Jun 13, 2011Updated 15 years ago
- Common Chemical Libraries☆15Updated this week
- Methods for mapping proteomics data on 3D protein structure.☆15Jan 18, 2020Updated 6 years ago
- 🌐⚛ A Web Component for visualizing an chemical element☆19May 16, 2019Updated 7 years ago
- A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.☆608Sep 10, 2026Updated last week
- 3D Molecular Viewer☆158Updated this week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- 3D chemical structure visualisation with three.js☆18Jun 29, 2023Updated 3 years ago
- Web-based 3D molecule editor and visualizer with molecular mechanics calculators.☆10Dec 6, 2022Updated 3 years ago
- Computational Chemistry☆28Jul 11, 2025Updated last year
- Autoencoder network for learning a continuous representation of molecular structures.☆28Nov 20, 2016Updated 9 years ago
- WebGL accelerated JavaScript molecular graphics library☆1,020Sep 12, 2026Updated last week
- A Cuda/Thrust implementation of fingerprint similarity searching☆114Jan 24, 2024Updated 2 years ago
- Simple package for fast molecular similarity searches☆184Jul 16, 2026Updated 2 months ago
- The Chemistry Development Kit☆605Sep 7, 2026Updated 2 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- organic chemistry reaction prediction using NMT with Attention☆58Nov 7, 2018Updated 7 years ago
- ☆16Dec 24, 2016Updated 9 years ago
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 9 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆26Aug 24, 2026Updated 3 weeks ago
- ☆37Nov 26, 2025Updated 9 months ago
- A library/plugin for handling 3D structural molecular data (not only) in the browser.☆159Jun 8, 2019Updated 7 years ago
- Molecular graph neural networks for predicting chemical properties, with a focus on fuels☆34Jul 23, 2026Updated 2 months ago
- Molecule Validation and Standardization☆187Apr 16, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Graph-based molecule modeling toolkit for cheminformatics☆228Jun 3, 2026Updated 3 months ago
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- ☆10Feb 29, 2024Updated 2 years ago
- Schrodinger-developed 2D Coordinate Generation☆50Jan 15, 2026Updated 8 months ago
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 9, 2026Updated 2 weeks ago
- The python implementation of the MMTF API, decoder and encoder.☆45Jul 7, 2022Updated 4 years ago
- SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinfor…☆11Aug 26, 2025Updated last year