Python toolkit for resolving chemical schematic diagrams.
☆44Apr 4, 2020Updated 5 years ago
Alternatives and similar repositories for ChemSchematicResolver
Users that are interested in ChemSchematicResolver are comparing it to the libraries listed below
Sorting:
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 5 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆66Dec 13, 2024Updated last year
- ☆27Jul 3, 2024Updated last year
- Extracts data from tables with complicated structures.☆16Mar 14, 2025Updated last year
- Chemical structure detection and segmentation tool for Journal articles.☆138Feb 25, 2026Updated 3 weeks ago
- ☆24Jun 23, 2021Updated 4 years ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆43May 3, 2021Updated 4 years ago
- Automatically extract chemical information from scientific documents☆348Jul 27, 2023Updated 2 years ago
- ☆16Sep 2, 2021Updated 4 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆107Sep 18, 2023Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Mar 2, 2021Updated 5 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆28Jun 30, 2025Updated 8 months ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆16Oct 27, 2025Updated 4 months ago
- The goal of the UDM project is to create and publish an open, extendable and freely available data format for exchange of experimental i…☆21Sep 20, 2021Updated 4 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆84Mar 26, 2022Updated 3 years ago
- ChemDataExtractor Version 2.0☆191Mar 20, 2025Updated last year
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 3 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆91Feb 9, 2026Updated last month
- Materials from the 2022 UGM☆46Oct 31, 2022Updated 3 years ago
- Python wrapper for the IBM RXN for Chemistry API☆238Dec 10, 2025Updated 3 months ago
- Library for training Gaussian Processes on Molecules☆36Jan 28, 2022Updated 4 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ☆25Dec 6, 2025Updated 3 months ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 7 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- Extracting medicinal chemistry intuition via preference machine learning☆117Oct 31, 2023Updated 2 years ago
- Explainer for black box models that predict molecule properties☆348May 8, 2025Updated 10 months ago
- ☆55Feb 27, 2026Updated 3 weeks ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 5 years ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Oct 4, 2024Updated last year
- Materials from the (virtual) 2021 RDKit UGM☆38Oct 22, 2021Updated 4 years ago
- A python module for generating interactive views of chemical spaces.☆76Feb 19, 2023Updated 3 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆204Aug 12, 2021Updated 4 years ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆348Dec 2, 2025Updated 3 months ago
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Dec 8, 2022Updated 3 years ago
- ☆25Mar 11, 2022Updated 4 years ago