Ideas for chemical similarity searches in MongoDB.
☆28Feb 8, 2015Updated 11 years ago
Alternatives and similar repositories for mongodb-chemistry
Users that are interested in mongodb-chemistry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- chemalot: a command-line cheminformatics open-source package☆40Jun 4, 2023Updated 3 years ago
- ☆11Oct 3, 2026Updated last month
- Predicting PROTAC protein degradation activity via machine learning.☆17Sep 17, 2025Updated last year
- The files used for the introductory python for chemistry worshop☆10Sep 23, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆137Mar 8, 2024Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Rust wrapper for the RDKit using CFFI☆16Jul 17, 2026Updated 3 months ago
- Django based chemical database/inventory☆18Feb 20, 2014Updated 12 years ago
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 6 years ago
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 5 months ago
- MolWall: "Wall of molecules" interface to see and rate molecules☆13Mar 15, 2023Updated 3 years ago
- ☆10Sep 25, 2019Updated 7 years ago
- ☆15Aug 22, 2026Updated 2 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Model-based Analysis of Protein Degradability☆12Aug 30, 2021Updated 5 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 7 months ago
- Tool to add substructure highlighting to molecules drawn with RDKit☆11Feb 11, 2022Updated 4 years ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- ☆26Oct 24, 2026Updated 2 weeks ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 8 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆41Sep 11, 2025Updated last year
- GSoC 2020 project to integrate the RDKit and MongoDb☆16Apr 8, 2024Updated 2 years 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.
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆17Sep 27, 2018Updated 8 years ago
- Python toolkit for resolving chemical schematic diagrams.☆46Apr 4, 2020Updated 6 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- ☆13Jul 11, 2023Updated 3 years ago
- ☆41Nov 2, 2024Updated 2 years ago
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆10Apr 24, 2025Updated last year
- ☆13Oct 6, 2024Updated 2 years ago
- Molecule Validation and Standardization☆189Apr 16, 2020Updated 6 years ago
- ☆28Oct 31, 2022Updated 4 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆31Jan 15, 2026Updated 9 months ago
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated 2 years ago