This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
☆30Oct 17, 2023Updated 2 years ago
Alternatives and similar repositories for reactiondataextractor2
Users that are interested in reactiondataextractor2 are comparing it to the libraries listed below
Sorting:
- A Sequence Generation Model for Reaction Diagram Parsing☆26Jun 30, 2025Updated 8 months ago
- Extracts data from tables with complicated structures.☆16Mar 14, 2025Updated 11 months ago
- ☆17Dec 5, 2024Updated last year
- Predictive Chemistry Augmented with Text Retrieval☆24Feb 20, 2024Updated 2 years ago
- ChemPile project☆19Jul 31, 2025Updated 7 months ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆81Mar 26, 2022Updated 3 years ago
- ChemDataExtractor Version 2.0☆190Mar 20, 2025Updated 11 months ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆18Sep 19, 2022Updated 3 years ago
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆91Nov 18, 2025Updated 3 months ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆338Dec 2, 2025Updated 2 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆22Aug 1, 2023Updated 2 years ago
- ☆92Jul 11, 2024Updated last year
- A feeble attempt at molecular recognition (in the literal sense)☆66Dec 13, 2024Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆90Feb 9, 2026Updated 3 weeks ago
- A Sequence Generation Model for Reaction Diagram Parsing☆102Sep 18, 2023Updated 2 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated last year
- ☆26Apr 14, 2024Updated last year
- ☆24Jul 5, 2023Updated 2 years ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- ☆15May 26, 2025Updated 9 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆52Jun 23, 2025Updated 8 months ago
- This repository contains a reaction condition selector.☆14Mar 19, 2025Updated 11 months ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 5 years ago
- Chemprop benchmarking scripts and data for v1☆31Jun 4, 2024Updated last year
- ☆27May 22, 2024Updated last year
- ☆14Jul 24, 2023Updated 2 years ago
- ☆12Jul 28, 2022Updated 3 years ago
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆16Oct 27, 2025Updated 4 months ago
- ☆14Sep 27, 2024Updated last year
- Tools to train synthesis prediction models☆29Feb 11, 2026Updated 2 weeks ago
- Neural Message Passing for NMR Chemical Shift Prediction☆11Aug 10, 2022Updated 3 years ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆32May 17, 2024Updated last year
- ☆12Sep 9, 2020Updated 5 years ago
- Prediction molecular structure from NMR spectra☆38Mar 19, 2024Updated last year
- ☆127Mar 24, 2023Updated 2 years ago
- From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…☆62Mar 7, 2023Updated 2 years ago