cdk / depictLinks
SMILES Depiction Generator
☆57Updated 2 weeks ago
Alternatives and similar repositories for depict
Users that are interested in depict are comparing it to the libraries listed below
Sorting:
- Python-based Informatics Kit for Analysing Chemical Units☆71Updated 11 months ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆74Updated last month
- Create molecular hashes☆27Updated 5 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated this week
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆87Updated 2 months ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆77Updated 3 years ago
- LillyMol Public Code☆104Updated 9 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 4 months ago
- IUPAC SMILES+ Specification☆37Updated last year
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated 4 months ago
- Name Reaction Ontology☆42Updated 2 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated 2 weeks ago
- In silico chemical library engine for high-accuracy chemical property prediction☆60Updated last month
- SMILES reading benchmark☆16Updated 6 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- 3D pharmacophore signatures and fingerprints☆104Updated last month
- ☆90Updated 3 months ago
- Enable cheminformatics and quantum chemistry☆74Updated last year
- chemalot: a command-line cheminformatics open-source package☆37Updated 2 years ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆62Updated 4 years ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆54Updated this week
- A collection of cheminformatics scripts that use rdkit☆64Updated 2 years ago
- Interactive data analysis and visualisation with chemical intelligence☆113Updated this week
- CGRs, molecules and reactions manipulation☆47Updated 2 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆41Updated this week