CrystalEye42 / OpenChemIELinks
☆84Updated last year
Alternatives and similar repositories for OpenChemIE
Users that are interested in OpenChemIE are comparing it to the libraries listed below
Sorting:
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆91Updated 2 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆68Updated 10 months ago
- This repository contains the code for https://decimer.ai☆52Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆44Updated 7 months ago
- Text mining of chemical reactions☆111Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆82Updated 4 months ago
- Converts clipboard content to smiles and much more☆64Updated last year
- ☆107Updated 4 years ago
- ☆23Updated 11 months ago
- Downloads USPTO patents and finds molecules related to keyword queries☆66Updated last year
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆42Updated 3 months ago
- Transformer-based model for chemical reactions☆88Updated 6 months ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆58Updated last week
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆72Updated 5 months ago
- ☆64Updated 2 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆63Updated last year
- A python package for chemical space visualization.☆149Updated 11 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆83Updated last year
- ☆27Updated last year
- Chemical reaction data cleaning☆30Updated 3 years ago
- ☆22Updated 2 years ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆61Updated 4 months ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆114Updated 4 months ago
- [Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents☆67Updated 3 weeks ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆76Updated 3 weeks ago
- ☆28Updated last year
- Library for processing molecules and reactions in python way☆45Updated 3 weeks ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 6 months ago