thomas0809 / MolScribe
Robust Molecular Structure Recognition with Image-to-Graph Generation
☆177Updated last month
Alternatives and similar repositories for MolScribe:
Users that are interested in MolScribe are comparing it to the libraries listed below
- A Sequence Generation Model for Reaction Diagram Parsing☆63Updated last year
- ☆61Updated 7 months ago
- Chemical structure detection and segmentation tool for Journal articles.☆98Updated 6 months ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆237Updated 3 months ago
- This is the official code of the MolNexTR☆33Updated 4 months ago
- ☆115Updated last year
- Transformer-based model for chemical reactions☆71Updated 2 months ago
- ☆224Updated 5 months ago
- From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…☆53Updated last year
- Text mining of chemical reactions☆95Updated 3 months ago
- ☆68Updated 9 months ago
- Predicting Organic Reactivity with LocalTransform☆40Updated 7 months ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆36Updated 3 years ago
- Auto3D generates low-energy conformers from SMILES/SDF☆156Updated 6 months ago
- Precise reaction atom-to-atom mapping with LocalMapper☆31Updated 8 months ago
- ☆95Updated 4 years ago
- RDKit related blog posts, notebooks, and data.☆127Updated this week
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s …☆25Updated last year
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆80Updated 7 months ago
- ☆46Updated 2 years ago
- A python package for chemical space visualization.☆136Updated 2 months ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆26Updated last year
- Retrosynthesis prediction for organic molecules with LocalRetro☆89Updated 8 months ago
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆149Updated 2 months ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆154Updated last year
- ☆53Updated last year
- Python wrapper for the IBM RXN for Chemistry API☆187Updated 9 months ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆173Updated last year
- Scoring of shape and ESP similarity with RDKit☆209Updated last year
- This repository contains the code for https://decimer.ai☆40Updated last year