ggasoftware / imagoLinks
Imago OCR: chemical image recognition toolkit
☆34Updated 12 years ago
Alternatives and similar repositories for imago
Users that are interested in imago are comparing it to the libraries listed below
Sorting:
- CheTo - Chemical Topic Modeling☆33Updated 4 years ago
- Open source Java-based chemistry library☆112Updated last week
- SMILES Depiction Generator☆63Updated 2 months ago
- RDKit wrapper☆50Updated last year
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Updated 4 months ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆16Updated 4 years ago
- 2D/3D generation for small compounds☆33Updated 5 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 4 years ago
- Script to facilitate the making of horizontal scripts☆18Updated last year
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆79Updated 4 years ago
- GaudiMM: A modular optimization platform for molecular design☆32Updated last year
- An open set of tools for automating tasks relating to small molecules☆69Updated 4 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated last week
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Updated last year
- A bayesian retrosynthesis algorithm☆14Updated 5 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 4 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆72Updated this week
- ☆32Updated 9 months ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- OSRA source from http://cactus.nci.nih.gov/osra/☆34Updated 12 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- A framework for rapidly mining structural information from the Protein Data Bank☆53Updated 5 years ago
- ☆33Updated last year