Indigo: a cheminformatics toolkit. Bingo: RDBMS data cartridge for Oracle, MS SQL Server, and PostgreSQL
☆48Jan 15, 2022Updated 4 years ago
Alternatives and similar repositories for indigo
Users that are interested in indigo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Universal cheminformatics toolkit, utilities and database search tools☆408Updated this week
- Real-time laboratory automation and monitoring in Python.☆23Feb 8, 2023Updated 3 years ago
- The Open Spectral Database - Its all about the data☆18Aug 7, 2024Updated 2 years ago
- Source code of the ChEMBL web services.☆17Mar 13, 2019Updated 7 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 7 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆13Jul 11, 2017Updated 9 years ago
- Essential Cheminformatics☆24May 25, 2010Updated 16 years ago
- Tools for ThermoML parsing☆21Sep 20, 2021Updated 5 years ago
- The Biochemical Algorithms Library☆77Jun 15, 2026Updated 3 months ago
- XDrawChem is a two-dimensional molecule drawing program.☆52Jul 13, 2026Updated 2 months ago
- A lightweight generic cheminformatics toolkit☆21Apr 14, 2016Updated 10 years ago
- SMILES reading benchmark☆16Aug 17, 2018Updated 8 years ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆38Jun 28, 2026Updated 3 months ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆55Mar 29, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆12Dec 3, 2024Updated last year
- ☆16May 11, 2016Updated 10 years ago
- JupyterLab extension for py3Dmol☆23Jan 2, 2022Updated 4 years ago
- SMILES Depiction Generator☆71Sep 3, 2026Updated last month
- ☆19Feb 1, 2019Updated 7 years ago
- The development of a free (MIT licensed) tool for drawing molecules and reactions☆10Dec 27, 2013Updated 12 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Aug 28, 2018Updated 8 years ago
- CNN model based on Google Inception model to predict regression values of regression values of Tetrahymena pyriformis IGC50 from 2D imag…☆20Nov 14, 2018Updated 7 years ago
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 4 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Simplified and standard interface to a number of cheminformatics toolkits☆89Nov 4, 2023Updated 2 years ago
- Open source Java-based chemistry library☆136Updated this week
- Code and experiments for the paper "A Partitioning Algorithm for Maximum Common Subgraph Problems"☆15Jun 17, 2020Updated 6 years ago
- A validating SMILES parser, with support for incomplete SMILES☆31Jan 14, 2025Updated last year
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 4 months ago
- Python implementation of the DHLLDV slurry transport framework☆12Updated this week
- SMILES Toolkit☆26Sep 2, 2026Updated last month
- A feeble attempt at molecular recognition (in the literal sense)☆68Jul 9, 2026Updated 3 months ago
- A Javascript cheminformatics toolkit.☆280Sep 21, 2026Updated 2 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A subgraph isomorphism algorithm.☆14Feb 12, 2021Updated 5 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆99Feb 16, 2023Updated 3 years ago
- A minimal molecular viewer written in Javascript☆27Mar 13, 2011Updated 15 years ago
- Wrapper to access InChI from Java☆13Jul 26, 2026Updated 2 months ago
- volume calculation and segmentation☆39May 20, 2024Updated 2 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆137Mar 8, 2024Updated 2 years ago
- Javascript Reaction Editor and Cheminformatics Library☆14Jun 13, 2011Updated 15 years ago