DS4SD / PatCIDLinks
[Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents
☆67Updated last month
Alternatives and similar repositories for PatCID
Users that are interested in PatCID are comparing it to the libraries listed below
Sorting:
- ☆85Updated last year
- ☆24Updated last year
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆70Updated last month
- A Sequence Generation Model for Reaction Diagram Parsing☆97Updated 2 years ago
- This repository contains the code for https://decimer.ai☆52Updated 2 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆67Updated 2 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆53Updated last year
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆63Updated 5 months ago
- Converts clipboard content to smiles and much more☆64Updated last year
- ☆31Updated 5 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆65Updated last month
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆61Updated last week
- Text mining of chemical reactions☆111Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 9 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆82Updated this week
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆33Updated last month
- Molecular filtering for drug discovery.☆70Updated 6 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆69Updated 11 months ago
- Analyzing chemical databases and predicting reaction conditions with cheminformatics☆43Updated 4 months ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆80Updated last month
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆74Updated 6 months ago
- Precise reaction atom-to-atom mapping with LocalMapper☆45Updated 8 months ago
- CheMeleon Descriptor-based Foundation Model☆96Updated 2 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- ☆22Updated 2 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆83Updated 4 months ago
- Library for processing molecules and reactions in python way☆46Updated this week
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆28Updated last year
- Atom-in-SMILES tokenizer for SMILES strings.☆42Updated last year