partridgejiang / cheminfo-to-webLinks
An experimental project to recompile native chemoinformatics libs into JavaScript.
☆14Updated 2 years ago
Alternatives and similar repositories for cheminfo-to-web
Users that are interested in cheminfo-to-web are comparing it to the libraries listed below
Sorting:
- Open source Java-based chemistry library☆102Updated this week
- A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .☆207Updated 2 weeks ago
- JavaScript port of OpenChemLib☆82Updated last week
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated 3 months ago
- Obsolete codebase, please do not use.☆34Updated 2 years ago
- Code and resources for the EPSRC BioSimSpace project.☆78Updated 3 weeks ago
- Simple RDKit molecule editor GUI using PySide☆161Updated 8 months ago
- 3D Molecular Viewer☆149Updated last week
- Molecule Validation and Standardization☆175Updated 5 years ago
- Chemical graphical editor web application☆15Updated 3 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆108Updated 2 months ago
- Interactive data analysis and visualisation with chemical intelligence☆126Updated 2 weeks ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆197Updated 8 months ago
- Describe and apply transformation on molecular structures and topologies☆120Updated 2 weeks ago
- Visual Interactive Analysis of Molecular Dynamics☆306Updated last week
- add-on to plotly which show molecule images on mouseover!☆256Updated last year
- OFFICIAL: AnteChamber PYthon Parser interfacE☆235Updated 3 months ago
- Simple package for fast molecular similarity searches☆151Updated 3 weeks ago
- A Javascript cheminformatics toolkit.☆263Updated 2 months ago
- Molecular bloom filter tool☆123Updated last month
- A graph-based workflow manager for computational chemistry pipelines☆66Updated 5 months ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- RDKit integration to SQLAlchemy☆10Updated 4 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- LiveCoMS GROMACS Tutorials Paper☆126Updated 6 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆179Updated 3 weeks ago
- An SQLite extension for chemoinformatics applications.☆59Updated 6 months ago
- SMILES Depiction Generator☆59Updated 2 months ago
- Catalog of Open Source Molecular Modeling Projects☆106Updated 7 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago