epam / IndigoLinks
Universal cheminformatics toolkit, utilities and database search tools
☆373Updated this week
Alternatives and similar repositories for Indigo
Users that are interested in Indigo are comparing it to the libraries listed below
Sorting:
- The Chemistry Development Kit☆560Updated 2 weeks ago
- Python wrapper for the PubChem PUG REST API.☆478Updated 4 months ago
- Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion☆192Updated 3 weeks ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆340Updated this week
- Web-based molecule sketcher☆700Updated this week
- Interaction Fingerprints for protein-ligand complexes and more☆462Updated 3 weeks ago
- Official data repository for the Open Reaction Database☆310Updated 5 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆329Updated last year
- Tutorials to learn how to work with the RDKit☆303Updated 2 years ago
- Interactive data analysis and visualisation with chemical intelligence☆142Updated last week
- HTMD: Programming Environment for Molecular Discovery☆270Updated last month
- A package to identify matched molecular pairs and use them to predict property changes.☆267Updated 7 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆376Updated this week
- A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.☆525Updated last month
- Molecule Validation and Standardization☆177Updated 5 years ago
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆278Updated last week
- Interactive molecule viewer for 2D structures☆242Updated 2 weeks ago
- A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .☆215Updated last week
- ChEMBL database structure pipelines☆229Updated last month
- Python wrapper for the IBM RXN for Chemistry API☆233Updated last month
- Python workflow for DP5 and DP4 analysis of organic molecules☆197Updated 2 years ago
- Molecular Processing Made Easy.☆522Updated last year
- Official Python client for accessing ChEMBL API☆427Updated 11 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆308Updated 3 weeks ago
- the simple alchemistry library☆232Updated 3 weeks ago
- Scoring of shape and ESP similarity with RDKit☆232Updated 4 months ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆657Updated last month
- Python interface of cpptraj☆184Updated last month
- Interface for AutoDock, molecule parameterization☆326Updated 3 weeks ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆192Updated 2 years ago