Alternatives and similar repositories for PatCID:

Users that are interested in PatCID are comparing it to the libraries listed below

• OBrink / DECIMER.ai
  This repository contains the code for https://decimer.ai
  ☆42Updated last year
• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆26Updated last year
• CrystalEye42 / OpenChemIE
  ☆69Updated 9 months ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆60Updated 10 months ago
• learningmatter-mit / PatentChem
  Downloads USPTO patents and finds molecules related to keyword queries
  ☆58Updated last year
• Ozymandias314 / MolDetect
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆22Updated last year
• markmartorilopez / OChemR
  From a chemical reaction image, detect and classify molecules, text and arrows by using the Vision Transformer DETR. Comparisons with we…
  ☆55Updated 2 years ago
• CYF2000127 / MolNexTR
  This is the official code of the MolNexTR
  ☆40Updated 6 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 6 months ago
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆38Updated last week
• thomas0809 / RxnScribe
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆71Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• reymond-group / MultiStepRetrosynthesisTTL
  Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions
  ☆21Updated 9 months ago
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated last month
• maplightrx / MapLight-TDC
  ☆13Updated last year
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆21Updated 2 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆68Updated last month
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• geemi725 / ChemLit-QA
  ☆16Updated 5 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆66Updated last week
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆59Updated last year
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆18Updated last year
• schwallergroup / steer
  ☆19Updated 2 weeks ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆49Updated 6 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆51Updated 3 months ago
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated 7 months ago
• reymond-group / CASP-and-dataset-performance
  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
  ☆45Updated 4 years ago
• coleygroup / desp
  Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)
  ☆23Updated 3 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆51Updated last month
• idrugLab / FP-GNN_CYP
  ☆15Updated 2 years ago