Actelion / openchemlibView external linksLinks
Open source Java-based chemistry library
☆114Updated this week
Alternatives and similar repositories for openchemlib
Users that are interested in openchemlib are comparing it to the libraries listed below
Sorting:
- JavaScript port of OpenChemLib☆84Jan 20, 2026Updated 3 weeks ago
- ☆101Feb 24, 2025Updated 11 months ago
- substructure search in large combinatorial spaces using openchemlib☆22Jan 15, 2026Updated 3 weeks ago
- ☆12Jul 5, 2024Updated last year
- Parallel Molecular Docking using PLANTS software☆14Dec 8, 2024Updated last year
- Wikipedia chemical structure explorer☆59Updated this week
- ☆30Feb 6, 2026Updated last week
- ☆92Aug 23, 2024Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆474Feb 1, 2026Updated last week
- Interactive data analysis and visualisation with chemical intelligence☆149Feb 4, 2026Updated last week
- Hierarchical template correction for chemical reactions☆20Aug 9, 2024Updated last year
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Feb 4, 2026Updated last week
- The Chemical Data Processing Toolkit☆112Updated this week
- LillyMol Public Code☆15Feb 6, 2026Updated last week
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆12Dec 19, 2017Updated 8 years ago
- Consensus pharmacophore for Drug Design☆14Aug 22, 2025Updated 5 months ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆24Sep 21, 2024Updated last year
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆67Feb 21, 2025Updated 11 months ago
- ErtlFunctionalGroupsFinder for CDK☆18Dec 18, 2023Updated 2 years ago
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Oct 13, 2021Updated 4 years ago
- Fast Molecular Property Prediction with mordredcommunity☆57Dec 12, 2025Updated 2 months ago
- Generates and scores synthetically tractable elaborations from fragment screens☆21Feb 5, 2026Updated last week
- Development of the Chemical JSON data representation☆67Oct 19, 2025Updated 3 months ago
- ☆36Jun 4, 2024Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- Scoring of shape and ESP similarity with RDKit☆232Aug 19, 2025Updated 5 months ago
- React components integrating OpenChemLib☆14Jan 19, 2026Updated 3 weeks ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- ☆14May 9, 2018Updated 7 years ago
- Open-source tool for synthons-based library design.☆85Jan 8, 2025Updated last year
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆106Updated this week
- An SQLite extension for chemoinformatics applications.☆62Oct 17, 2025Updated 3 months ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- ☆41Jan 15, 2026Updated 3 weeks ago
- Yet Another extended Hueckel Molecular Orbital Package☆28Nov 17, 2025Updated 2 months ago
- Auto3D generates low-energy conformers from SMILES/SDF☆187Jan 22, 2026Updated 3 weeks ago
- Quick Reaction Coordinate: normal mode displacement of transition structures☆39Jan 25, 2026Updated 2 weeks ago