Recognising hand-drawn molecules with neural networks
☆37Nov 5, 2022Updated 3 years ago
Alternatives and similar repositories for ChemPixCH
Users that are interested in ChemPixCH 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 OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆45May 3, 2021Updated 5 years ago
- Img2SMILES generator☆27Aug 29, 2021Updated 5 years ago
- The semi-unsupervised version of the molecule recognition engine, chemtype.☆19Feb 6, 2019Updated 7 years ago
- Given an image of a molecule create a smiles or mol represenatation.☆26May 28, 2021Updated 5 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.
- Open Source Mycetoma's First Series of Molecules☆10Aug 26, 2026Updated last week
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated last year
- ☆26Sep 26, 2022Updated 3 years ago
- ABC-Net for molecular image recognition☆18Jan 3, 2022Updated 4 years ago
- Deep Learning for Chemical Image Recognition (DECIMER)☆19May 3, 2021Updated 5 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 7 years ago
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆31Oct 19, 2023Updated 2 years ago
- Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.☆13Aug 12, 2025Updated last year
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 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.
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆401Dec 2, 2025Updated 9 months ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 4 years ago
- Python toolkit for resolving chemical schematic diagrams.☆45Apr 4, 2020Updated 6 years ago
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- ☆20Jan 31, 2021Updated 5 years ago
- ☆17Nov 16, 2018Updated 7 years ago
- Collection of machine learning models for predicting toxicity of molecules☆12May 6, 2020Updated 6 years ago
- The Chemistry Development Kit ported to .NET☆35Mar 21, 2023Updated 3 years ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 4 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.
- Tool for mining structure-property relationships from chemical datasets☆16May 5, 2026Updated 3 months ago
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆15Jan 12, 2021Updated 5 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 9 months ago
- OSRA source from http://cactus.nci.nih.gov/osra/☆39Aug 7, 2013Updated 13 years ago
- ☆12Jul 28, 2022Updated 4 years ago
- ☆14Jul 18, 2023Updated 3 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆18Sep 29, 2023Updated 2 years ago
- A simple molecule fragmentation method.☆43Oct 20, 2023Updated 2 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Pipeline for automated extraction of chemical property information from scientific documents☆21Sep 14, 2018Updated 7 years ago
- ☆17Sep 2, 2021Updated 5 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆28Nov 20, 2016Updated 9 years ago
- DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks☆12May 30, 2024Updated 2 years ago
- 🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VI…☆126Nov 25, 2023Updated 2 years ago
- utilities for calculating bond dissociation energies☆37Jun 30, 2022Updated 4 years ago
- IUPAC SMILES+ Specification☆42Dec 12, 2023Updated 2 years ago