DS4SD / PatCIDLinks
[Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents
☆66Updated this week
Alternatives and similar repositories for PatCID
Users that are interested in PatCID are comparing it to the libraries listed below
Sorting:
- ☆84Updated last year
- This repository contains the code for https://decimer.ai☆50Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆89Updated 2 years ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆68Updated 4 months ago
- ☆22Updated 11 months ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆57Updated this week
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆63Updated last month
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- ☆19Updated last year
- Molecular filtering for drug discovery.☆65Updated 5 months ago
- Text mining of chemical reactions☆110Updated 11 months ago
- Converts clipboard content to smiles and much more☆62Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆66Updated last year
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated last year
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆48Updated 4 years ago
- ☆71Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆45Updated 7 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆80Updated 3 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 7 months ago
- ☆21Updated 2 years ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆74Updated last week
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆60Updated 3 months ago
- ☆121Updated 2 years ago
- Code Space of SynLlama☆35Updated 4 months ago
- ☆107Updated 4 years ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆66Updated 10 months ago
- Transformer-based model for chemical reactions☆87Updated 6 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆82Updated last year
- a multi-property optimization method.☆32Updated 10 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆78Updated 3 months ago