Cheminformatics formulae for the Homebrew package manager
☆20Mar 30, 2018Updated 8 years ago
Alternatives and similar repositories for homebrew-cheminformatics
Users that are interested in homebrew-cheminformatics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python wrapper for the ChemSpider API☆119Sep 9, 2018Updated 8 years ago
- Molecule Validation and Standardization☆189Apr 16, 2020Updated 6 years ago
- Quantum Chemistry speed test☆11Feb 2, 2014Updated 12 years ago
- SMILES Toolkit☆27Sep 2, 2026Updated 2 months ago
- A simple web GUI for DeepChem☆69Nov 27, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Perception and labelling of stereogenic centres in chemical structures☆23Oct 13, 2026Updated 3 weeks ago
- Obsolete codebase, please do not use.☆35Jan 3, 2023Updated 3 years ago
- ☆12Aug 30, 2018Updated 8 years ago
- ChemMine Tools: open source web framework for small molecule analysis☆42Dec 8, 2022Updated 3 years ago
- R interface to Chemical Translation Service (CTS)☆17Jul 27, 2024Updated 2 years ago
- This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Per…☆11Aug 2, 2018Updated 8 years ago
- python scripts for the Coursera Bioinformatics for Beginners☆17Mar 11, 2018Updated 8 years ago
- CueMol: Molecular Visualization Framework☆20Updated this week
- Open Source Scientific Computing using Fedora Scientific☆12Oct 31, 2018Updated 8 years ago
- 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.
- Canvas text system for iOS & OS X☆10Sep 1, 2016Updated 10 years ago
- Model Discrete Parameters In Stan☆11Dec 13, 2017Updated 8 years ago
- pylodger bootstraps a free development environment for Conda☆14Jul 13, 2016Updated 10 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆36Feb 3, 2026Updated 9 months ago
- [The Swift Alps version] Demo Application of Unidirectional Data Flow in Swift, Built with ReSwift☆11Nov 11, 2016Updated 9 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆44Apr 5, 2024Updated 2 years ago
- Pharmacophore software by Silicos☆11May 22, 2017Updated 9 years ago
- Conformal Prediction library for Orange3☆10May 24, 2019Updated 7 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆41Sep 11, 2025Updated last year
- 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.
- Gensim document similarity demonstration using RSS feeds as document sources☆14Jul 6, 2022Updated 4 years ago
- 因果涌现第二季读书会第一部分知识梳理☆13Jul 25, 2022Updated 4 years ago
- ☆42Nov 10, 2020Updated 5 years ago
- ☆25Mar 2, 2026Updated 8 months ago
- ☆12Dec 10, 2020Updated 5 years ago
- Code for ICDM2021 paper 'GNES: Learning to Explain Graph Neural Networks'☆11Dec 9, 2021Updated 4 years ago
- Base package for GenericKnimeNodes☆15Jan 27, 2025Updated last year
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆40Sep 18, 2024Updated 2 years ago
- ☆13Jan 19, 2022Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Python wrapper for the PubChem PUG REST API.☆518Sep 8, 2025Updated last year
- Pharmacophore tool based on OpenEye toolkits☆10Feb 22, 2016Updated 10 years ago
- Categories for NSBezierPath which implement path reduction algorithms☆11May 6, 2011Updated 15 years ago
- Count how many bits are set (population count) in C++ using POPCNT via inline assembly and gcc intrinsics (with benchmarks)☆16May 9, 2011Updated 15 years ago
- Re-usable class to support drawing and event handling of iWork-like selection border☆13Aug 19, 2015Updated 11 years ago
- Inner- and Outer Recursive Neural Networks for Chemoinformatics☆31Jun 27, 2021Updated 5 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago