Ketcher: web-based chemical sketcher
☆59Sep 17, 2014Updated 11 years ago
Alternatives and similar repositories for ketcher
Users that are interested in ketcher are comparing it to the libraries listed below
Sorting:
- Indigo: a cheminformatics toolkit. Bingo: RDBMS data cartridge for Oracle, MS SQL Server, and PostgreSQL☆47Jan 15, 2022Updated 4 years ago
- The development of a free (MIT licensed) tool for drawing molecules and reactions☆10Dec 27, 2013Updated 12 years ago
- Universal cheminformatics toolkit, utilities and database search tools☆378Feb 23, 2026Updated last week
- XDrawChem is a two-dimensional molecule drawing program.☆40Jan 25, 2021Updated 5 years ago
- render smile string to molecule structure based on chemical-structures☆10Sep 16, 2023Updated 2 years ago
- Mirror of bkchem from gitorious☆11Aug 18, 2022Updated 3 years ago
- Web-based molecule sketcher☆730Updated this week
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Nov 12, 2021Updated 4 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 7 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆66Dec 13, 2024Updated last year
- ChemMine Tools: open source web framework for small molecule analysis☆40Dec 8, 2022Updated 3 years ago
- 3D Molecular Viewer☆156Feb 24, 2026Updated last week
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- Interactive plots with chemical structures☆15Nov 14, 2019Updated 6 years ago
- 3D chemical molecule visualizer for XYZ files.☆15Aug 8, 2017Updated 8 years ago
- SMSD is a Java library for detecting Maximum Common Subgraphs (MCS) and substructures between small molecules.☆47Sep 19, 2025Updated 5 months ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated 5 months ago
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Jun 5, 2025Updated 8 months ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆134Mar 8, 2024Updated last year
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- An experimental repo for experimenting with PyTorch models☆38Mar 24, 2023Updated 2 years ago
- 3D chemical structure visualisation with three.js☆18Jun 29, 2023Updated 2 years ago
- Chemical perception tree automated exploration tool.☆19Aug 14, 2018Updated 7 years ago
- Essential Cheminformatics☆23May 25, 2010Updated 15 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆189Dec 5, 2025Updated 2 months ago
- A lightweight, 3D molecular viewer for JavaScript and PureScript applications.☆21Mar 5, 2023Updated 2 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆29May 4, 2022Updated 3 years ago
- Molecular SMILE generation with recurrent neural networks☆21Jul 13, 2025Updated 7 months ago
- A molecular viewer written in Javascript and WebGL☆79Jan 26, 2020Updated 6 years ago
- ☆55Dec 12, 2025Updated 2 months ago
- Molecular vectorization and batch generation☆50Mar 23, 2021Updated 4 years ago
- Automated framework for the curation of chemogenomics data and to develop QSAR models for virtual screening using the open-source KNIME s…☆24Apr 14, 2020Updated 5 years ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- Chemical Processes Control☆12Dec 9, 2025Updated 2 months ago
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆24Aug 4, 2023Updated 2 years ago
- The code of MolView.org☆234Jan 21, 2026Updated last month
- chemical graph theory library for JavaScript☆99May 28, 2025Updated 9 months ago
- ☆28Sep 30, 2022Updated 3 years ago