epam / Indigo
Universal cheminformatics toolkit, utilities and database search tools
☆347Updated this week
Alternatives and similar repositories for Indigo:
Users that are interested in Indigo are comparing it to the libraries listed below
- The Chemistry Development Kit☆524Updated this week
- Web-based molecule sketcher☆566Updated this week
- Tutorials to learn how to work with the RDKit☆284Updated 2 years ago
- Interactive data analysis and visualisation with chemical intelligence☆109Updated this week
- Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion☆173Updated last month
- Python workflow for DP5 and DP4 analysis of organic molecules☆183Updated last year
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆304Updated last month
- HTMD: Programming Environment for Molecular Discovery☆267Updated 2 weeks ago
- Molecule Validation and Standardization☆170Updated 5 years ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆291Updated last year
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,161Updated last month
- Interaction Fingerprints for protein-ligand complexes and more☆403Updated last week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆286Updated last week
- Python wrapper for the PubChem PUG REST API.☆426Updated last year
- Python wrapper for the IBM RXN for Chemistry API☆193Updated 11 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆230Updated 3 months ago
- Molecular Processing Made Easy.☆490Updated 10 months ago
- 3D Molecular Viewer☆144Updated 2 months ago
- ☆92Updated last month
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆270Updated this week
- A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.☆480Updated 3 weeks ago
- A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .☆183Updated this week
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆253Updated last month
- a molecular descriptor calculator☆400Updated last year
- Open Drug Discovery Toolkit☆437Updated 2 years ago
- ChEMBL database structure pipelines☆200Updated 7 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆523Updated 2 weeks ago
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆258Updated 5 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆339Updated this week
- PDBFixer fixes problems in PDB files☆536Updated last month