CrystalEye42 / OpenChemIELinks
☆72Updated 10 months ago
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☆26Updated last year
- Converts clipboard content to smiles and much more☆61Updated last year
- This repository contains the code for https://decimer.ai☆44Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆36Updated 2 months ago
- A Sequence Generation Model for Reaction Diagram Parsing☆77Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆56Updated 5 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆36Updated last month
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated 2 weeks ago
- ☆51Updated last month
- Library for processing molecules and reactions in python way☆44Updated last month
- ☆20Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆67Updated this week
- CGRs, molecules and reactions manipulation☆47Updated 2 years ago
- ☆74Updated last year
- Transformer-based model for chemical reactions☆78Updated last month
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 2 months ago
- A Sequence Generation Model for Reaction Diagram Parsing☆23Updated last year
- Text mining of chemical reactions☆101Updated 6 months ago
- ☆50Updated 2 months ago
- Chemistry-related Python utilities used in the RXN universe☆25Updated 10 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- ☆55Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆61Updated last year
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆77Updated last year
- ☆97Updated 4 years ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆41Updated this week
- ☆23Updated 10 months ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago