markmartorilopez / OChemRLinks
From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with well-established CNNs (RetinaNet and FasterRCNN also provided). The detections are then translated into text "OCR" or into SMILES. The direction of the reaction is learned and preserved into the output files.
☆58Updated 2 years ago
Alternatives and similar repositories for OChemR
Users that are interested in OChemR are comparing it to the libraries listed below
Sorting:
- ☆74Updated 11 months ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆26Updated last year
- Chemistry-related Python utilities used in the RXN universe☆25Updated 11 months ago
- A Sequence Generation Model for Reaction Diagram Parsing☆78Updated last year
- Converts clipboard content to smiles and much more☆61Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆58Updated 5 months ago
- Precise reaction atom-to-atom mapping with LocalMapper☆37Updated 3 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆36Updated 3 weeks ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated last month
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆68Updated 3 weeks ago
- This repository contains the code for https://decimer.ai☆45Updated last year
- ☆13Updated 2 years ago
- ☆30Updated 2 years ago
- CGRs, molecules and reactions manipulation☆47Updated 2 years ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆25Updated 2 years ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- ☆16Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆62Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- Name Reaction Ontology☆42Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆23Updated last year
- ☆97Updated 4 years ago
- ☆20Updated last year
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆25Updated last year
- Materials from the 2023 RDKit UGM☆34Updated last year
- GraphRXN☆28Updated 2 years ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆35Updated last year
- Synthesis generative model☆45Updated 2 months ago
- ☆28Updated last year