rdkit / RDKitjs-legacyLinks
Obsolete codebase, please do not use.
☆34Updated 2 years ago
Alternatives and similar repositories for RDKitjs-legacy
Users that are interested in RDKitjs-legacy are comparing it to the libraries listed below
Sorting:
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated 3 months ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- Simple package for fast molecular similarity searches☆151Updated 3 weeks ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- RDKit integration to SQLAlchemy☆10Updated 4 years ago
- Molecule Validation and Standardization☆175Updated 5 years ago
- Molecular standardisation tool☆77Updated 5 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆78Updated 3 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆91Updated 2 years ago
- chemalot: a command-line cheminformatics open-source package☆38Updated 2 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆92Updated 6 months ago
- LillyMol Public Code☆116Updated 3 weeks ago
- Create molecular hashes☆27Updated 6 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- ☆113Updated 7 years ago
- ☆55Updated last year
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆61Updated 3 years ago
- ☆55Updated 4 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆65Updated 4 years ago
- psi4+RDKit☆102Updated 4 months ago
- RDKit wrapper☆49Updated last year
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 2 weeks ago
- An SQLite extension for chemoinformatics applications.☆59Updated 6 months ago
- Interactive data analysis and visualisation with chemical intelligence☆126Updated 2 weeks ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆77Updated 2 months ago
- Experimental and calculated small molecule hydration free energies☆124Updated 2 years ago
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆30Updated 2 years ago