The semi-unsupervised version of the molecule recognition engine, chemtype.
☆19Feb 6, 2019Updated 7 years ago
Alternatives and similar repositories for chemtype2
Users that are interested in chemtype2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆67Dec 13, 2024Updated last year
- Recognising hand-drawn molecules with neural networks☆36Nov 5, 2022Updated 3 years ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 2 years ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 3 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.
- The Chemical Reaction Optimization (CRO) algorithm with dependent classes in python 3.☆11Apr 21, 2020Updated 6 years ago
- ☆17Nov 16, 2018Updated 7 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Collection of machine learning models for predicting toxicity of molecules☆12May 6, 2020Updated 6 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Jan 17, 2026Updated 3 months ago
- JavaScript based molecule structure editor☆15Oct 14, 2009Updated 16 years ago
- Img2SMILES generator☆26Aug 29, 2021Updated 4 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Oct 2, 2024Updated last year
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 10 months 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.
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Jan 12, 2021Updated 5 years ago
- Repository for Chemical Perception Sampling Tools☆22Aug 13, 2024Updated last year
- RDKit wrapper☆50Apr 9, 2024Updated 2 years ago
- A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease☆27Nov 30, 2017Updated 8 years ago
- Calculator for estimating real estate investments☆16Apr 11, 2023Updated 3 years ago
- ☆45May 12, 2020Updated 5 years ago
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆31Jul 19, 2019Updated 6 years ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆45May 3, 2021Updated 5 years ago
- ErtlFunctionalGroupsFinder for CDK☆18Dec 18, 2023Updated 2 years 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.
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆67Sep 9, 2019Updated 6 years ago
- ☆19Dec 13, 2019Updated 6 years ago
- A front end for elasticsearch written in plotly dash☆10Nov 9, 2023Updated 2 years ago
- (In development) Microservices full-stack single-page web app built with Typescript, React, Redux, Styled Components (for CSS-in-JS), Pyt…☆11Apr 21, 2026Updated 2 weeks ago
- A better, cross-platform HP calculator transfer tool.☆11Apr 12, 2024Updated 2 years ago
- Converts CDX and CDXML from and to CML☆12Apr 14, 2026Updated 3 weeks ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS☆21Sep 20, 2025Updated 7 months ago
- ABC-Net for molecular image recognition☆18Jan 3, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Heroku/Dash app for inDelphi.☆11Dec 8, 2022Updated 3 years ago
- Snakemake-like pipeline manager for reproducible Jupyter Notebooks☆17Apr 13, 2026Updated 3 weeks ago
- 小微写诗示例☆11Nov 4, 2019Updated 6 years ago
- Deep Molecular Dreaming☆26May 25, 2024Updated last year
- lincms的java Spring boot 实现的后台版本☆10Mar 6, 2019Updated 7 years ago
- Webpage for the ChemRxiv dashboard☆11Mar 10, 2025Updated last year
- Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion☆212Apr 10, 2026Updated 3 weeks ago