A feeble attempt at molecular recognition (in the literal sense)
☆66Dec 13, 2024Updated last year
Alternatives and similar repositories for molvec
Users that are interested in molvec 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
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 6 years ago
- Python toolkit for resolving chemical schematic diagrams.☆43Apr 4, 2020Updated 5 years ago
- ☆24Sep 26, 2022Updated 3 years ago
- Chemical structure detection and segmentation tool for Journal articles.☆136Feb 13, 2026Updated 2 weeks ago
- The semi-unsupervised version of the molecule recognition engine, chemtype.☆18Feb 6, 2019Updated 7 years ago
- ☆13Jun 9, 2021Updated 4 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago
- This repository contains the information related to the benchmark study on openly available OCSR tools☆43May 3, 2021Updated 4 years ago
- Optical Chemical Structure Recognition Tool (based on OSRA)☆20Mar 22, 2017Updated 8 years ago
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆12Feb 24, 2022Updated 4 years ago
- Universal cheminformatics toolkit, utilities and database search tools☆378Updated this week
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Jun 1, 2020Updated 5 years ago
- Img2SMILES generator☆25Aug 29, 2021Updated 4 years ago
- A bayesian retrosynthesis algorithm☆14Dec 16, 2020Updated 5 years ago
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆45Jan 13, 2026Updated last month
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 4 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- Robust Molecular Structure Recognition with Image-to-Graph Generation☆266Jan 9, 2025Updated last year
- ☆10May 17, 2021Updated 4 years ago
- ☆12Jul 3, 2021Updated 4 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 7 years ago
- Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion☆194Dec 20, 2025Updated 2 months ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆335Dec 2, 2025Updated 2 months ago
- Platforms to predict reactivity for substitution reactions.☆21May 8, 2021Updated 4 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Oct 17, 2023Updated 2 years ago
- ☆13Aug 5, 2025Updated 6 months ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientif…☆37Jan 13, 2026Updated last month
- ☆13Sep 4, 2021Updated 4 years ago
- Perception and labelling of stereogenic centres in chemical structures☆19Jan 30, 2024Updated 2 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆71Apr 5, 2021Updated 4 years ago
- ☆127Mar 24, 2023Updated 2 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆184Sep 18, 2023Updated 2 years ago
- semi-supervised learning for molecular property prediction☆52Aug 17, 2021Updated 4 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆81Mar 26, 2022Updated 3 years ago
- RDKit wrapper☆50Apr 9, 2024Updated last year
- Mol2vec notebooks for use with Binder service☆29Mar 24, 2018Updated 7 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 5 years ago