OpenChemistry / mongochemserverLinks
Server code for MongoChem chemical data
☆16Updated 3 years ago
Alternatives and similar repositories for mongochemserver
Users that are interested in mongochemserver are comparing it to the libraries listed below
Sorting:
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 5 years ago
- Macromolecular viewer for crystallographers (WebGL)☆40Updated 5 months ago
- A molecule viewer with cavity computation☆16Updated 7 months ago
- Winter is coming...☆13Updated 6 years ago
- Implementation of various machine learning representations for molecules☆25Updated 4 years ago
- Template-directed automatic generation of transition state structures.☆11Updated 9 years ago
- Tools for ThermoML parsing☆21Updated 4 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Python wrapper for the ChemSpider API☆120Updated 7 years ago
- Chemical perception tree automated exploration tool.☆19Updated 7 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆58Updated last week
- ☆21Updated 3 months ago
- MD trajectory server☆35Updated 2 years ago
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆83Updated 7 years ago
- This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published b…☆78Updated 2 months ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Updated 3 years ago
- How to analyze molecular dynamics data with PyEMMA☆82Updated 6 years ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- Python bindings for TNG file format☆13Updated 3 months ago
- An open set of tools for automating tasks relating to small molecules☆68Updated 4 years ago
- Plots absorption spectra from from ORCA output files☆20Updated last year
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆52Updated last year
- ☆14Updated 7 years ago
- Data generation and submission scripts for the QCArchive ecosystem.☆35Updated last week
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆86Updated this week
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated 3 months ago
- For discussing and aggregating data for force field development☆15Updated 9 years ago
- Generate canonical molecule identifiers for quantum chemistry database☆23Updated 4 years ago
- MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop☆13Updated 9 years ago