Molecular Annotation and Recognition for Curating Unravelled Structures
☆31Jan 15, 2026Updated 7 months ago
Alternatives and similar repositories for MARCUS
Users that are interested in MARCUS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Converts clipboard content to smiles and much more☆66Jun 6, 2024Updated 2 years ago
- Chemical structure detection and segmentation tool for Journal articles.☆152Feb 25, 2026Updated 6 months ago
- DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…☆401Dec 2, 2025Updated 9 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆48Jan 17, 2024Updated 2 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆77Dec 8, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆26Sep 15, 2022Updated 3 years ago
- ChemAudit helps researchers validate, standardize, and assess the quality of chemical structures before using them in machine learning mo…☆64Updated this week
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Jul 24, 2026Updated last month
- ☆38Mar 8, 2024Updated 2 years ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- The graph-convolutional neural network for pka prediction☆102Jan 11, 2024Updated 2 years ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆71Aug 15, 2026Updated 2 weeks ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A Sequence Generation Model for Reaction Diagram Parsing☆30Jun 30, 2025Updated last year
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆64Jun 23, 2026Updated 2 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆117Dec 5, 2025Updated 8 months ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- [ICCV 23] MolGrapher: Graph-based Visual Recognition of Chemical Structures☆16Oct 27, 2025Updated 10 months ago
- ☆14Jul 6, 2023Updated 3 years ago
- This repository contains the code for https://decimer.ai☆77Nov 3, 2025Updated 9 months ago
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆31Feb 24, 2026Updated 6 months ago
- AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.☆25Aug 5, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- 📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime☆19Updated this week
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- lwreg is a lightweight registration system for chemical registration and data storage.☆91Feb 9, 2026Updated 6 months ago
- Repository for the EMNLP 2023 Demo Paper "Reaction Miner: An Integrated System for Chemical Reaction Extraction from Textual Data"☆19Jan 27, 2025Updated last year
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆25Dec 20, 2024Updated last year
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 4 years ago
- ☆42Mar 26, 2025Updated last year
- An implementation of the Solubility Forecast Index (SFI)☆25Oct 6, 2025Updated 10 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆89Dec 21, 2025Updated 8 months ago
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 4 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- A quantitative benchmark and analysis of molecular large language models.☆20Jun 3, 2025Updated last year
- ☆13May 24, 2026Updated 3 months ago