CrystalEye42 / OpenChemIELinks
☆87Updated last year
Alternatives and similar repositories for OpenChemIE
Users that are interested in OpenChemIE are comparing it to the libraries listed below
Sorting:
- A Sequence Generation Model for Reaction Diagram Parsing☆98Updated 2 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Updated 2 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆69Updated 11 months ago
- This repository contains the code for https://decimer.ai☆55Updated 2 years ago
- Text mining of chemical reactions☆112Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆83Updated 3 weeks ago
- Precise reaction atom-to-atom mapping with LocalMapper☆46Updated 9 months ago
- Converts clipboard content to smiles and much more☆64Updated last year
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆61Updated 3 weeks ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆43Updated 5 months ago
- A feeble attempt at molecular recognition (in the literal sense)☆64Updated last year
- ☆22Updated 2 years ago
- ☆109Updated 4 years ago
- ☆24Updated last year
- ☆124Updated 2 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆76Updated 6 months ago
- Transformer-based model for chemical reactions☆90Updated 8 months ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆36Updated 2 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆117Updated 5 months ago
- ☆64Updated 2 years ago
- ☆30Updated last year
- A python package for chemical space visualization.☆150Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆68Updated 2 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆84Updated last year
- Library for processing molecules and reactions in python way☆46Updated this week
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 7 months ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆82Updated 2 months ago
- The graph-convolutional neural network for pka prediction☆91Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆66Updated last year
- ☆32Updated last year