☆127Mar 24, 2023Updated 2 years ago
Alternatives and similar repositories for Img2Mol
Users that are interested in Img2Mol are comparing it to the libraries listed below
Sorting:
- Given an image of a molecule create a smiles or mol represenatation.☆25May 28, 2021Updated 4 years ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆341Dec 2, 2025Updated 3 months ago
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆272Jan 9, 2025Updated last year
- Chemical structure detection and segmentation tool for Journal articles.☆138Feb 25, 2026Updated last week
- ☆13May 15, 2024Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆66Feb 21, 2024Updated 2 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆81Mar 26, 2022Updated 3 years ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆43May 3, 2021Updated 4 years ago
- ☆24Sep 26, 2022Updated 3 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆27Jun 30, 2025Updated 8 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 2 years ago
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- A feeble attempt at molecular recognition (in the literal sense)☆66Dec 13, 2024Updated last year
- ☆66May 25, 2021Updated 4 years ago
- A tool for retrosynthetic planning☆795Dec 9, 2025Updated 3 months ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆46Jan 27, 2022Updated 4 years ago
- ☆22Jan 5, 2025Updated last year
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆30Oct 19, 2023Updated 2 years ago
- Simple package for fast molecular similarity searches☆164Feb 26, 2026Updated last week
- Interactive molecule viewer for 2D structures☆249Dec 27, 2025Updated 2 months ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆359Feb 13, 2026Updated 3 weeks ago
- A Sequence Generation Model for Reaction Diagram Parsing☆104Sep 18, 2023Updated 2 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆20Sep 25, 2024Updated last year
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆86Sep 2, 2025Updated 6 months ago
- Some useful RDKit functions☆222Jan 12, 2026Updated last month
- Simple RDKit molecule editor GUI using PySide☆170Jan 10, 2025Updated last year
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆92Nov 18, 2025Updated 3 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆80Jun 1, 2025Updated 9 months ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆247Apr 13, 2023Updated 2 years ago
- Text mining of chemical reactions☆113Nov 10, 2024Updated last year
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆13Oct 21, 2024Updated last year
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆71Apr 5, 2021Updated 4 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 repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Oct 17, 2023Updated 2 years ago