OBrink / RanDepict
This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction styles and image augmentations) based on RDKit, CDK, Indigo and PIKAChU.
☆26Updated last year
Alternatives and similar repositories for RanDepict:
Users that are interested in RanDepict are comparing it to the libraries listed below
- This repository contains the information related to the benchmark study on openly available OCSR tools☆37Updated 4 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆72Updated last year
- ☆23Updated 2 years ago
- ☆70Updated 9 months ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆26Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆36Updated last month
- A Sequence Generation Model for Reaction Diagram Parsing☆23Updated last year
- Chemical reaction data cleaning☆30Updated 3 years ago
- This repository contains the code for https://decimer.ai☆42Updated last year
- ☆69Updated 11 months ago
- From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…☆56Updated 2 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆32Updated 2 years ago
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆199Updated 3 months ago
- ☆55Updated last year
- Chemical structure detection and segmentation tool for Journal articles.☆102Updated last month
- ☆22Updated 9 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆71Updated 4 months ago
- Given an image of a molecule create a smiles or mol represenatation.☆25Updated 3 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆59Updated 4 months ago
- ☆11Updated 4 years ago
- Converts clipboard content to smiles and much more☆60Updated 11 months ago
- ☆27Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆72Updated 9 months ago
- ☆16Updated last year
- GraphRXN☆28Updated last year
- Code for training machine learning model for reaction condition prediction☆41Updated 5 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 9 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆35Updated 3 weeks ago
- Downloads USPTO patents and finds molecules related to keyword queries☆59Updated last year
- Retrosynthetic prediction with Atom Environments☆37Updated last year