ComPlat / chemotion_ELN
Electronic Lab Notebook
☆145Updated this week
Alternatives and similar repositories for chemotion_ELN:
Users that are interested in chemotion_ELN are comparing it to the libraries listed below
- Interactive data analysis and visualisation with chemical intelligence☆107Updated last week
- Simple RDKit molecule editor GUI using PySide☆144Updated last month
- Main InChI repository☆77Updated last week
- APBS - software for biomolecular electrostatics and solvation☆128Updated 4 years ago
- React component to display and process nuclear magnetic resonance (NMR) spectra.☆59Updated this week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆277Updated last year
- Python wrapper for the ChemSpider API☆113Updated 6 years ago
- Tutorials to learn how to work with the RDKit☆280Updated last year
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆97Updated 4 months ago
- RDKit wrapper☆49Updated 10 months ago
- Molecule Validation and Standardization☆167Updated 4 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆75Updated 3 years ago
- Python interface of cpptraj☆174Updated last month
- LOOS: a lightweight object-oriented structure analysis library☆123Updated last week
- Catalog of Open Source Molecular Modeling Projects☆97Updated 2 weeks ago
- ChEMBL database structure pipelines☆197Updated 5 months ago
- Make a bunch of molecules☆96Updated 2 months ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆216Updated last month
- ☆68Updated this week
- Open source Java-based chemistry library☆93Updated last week
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆183Updated last year
- A module for working with NMR data in Python☆218Updated 3 months ago
- macromolecular crystallography library and utilities☆246Updated this week
- SMILES Depiction Generator☆55Updated last month
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated 2 weeks ago
- ☆86Updated this week
- Schema for the Open Reaction Database☆96Updated this week
- ☆115Updated last year
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆74Updated 4 months ago
- A python package for chemical space visualization.☆136Updated 2 months ago