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
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- A molecule viewer with cavity computation☆16Updated 4 months ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆70Updated 4 months ago
- Python wrapper for the ChemSpider API☆119Updated 7 years ago
- An open-source, online textbook introducing Python programming to chemistry students☆26Updated 4 years ago
- ☆21Updated 3 weeks ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 7 years ago
- Winter is coming...☆12Updated 6 years ago
- How to analyze molecular dynamics data with PyEMMA☆78Updated 6 years ago
- Parallel algorithms for MDAnalysis☆31Updated last year
- Reads Gromacs EDR file to populate a pandas dataframe☆33Updated 10 months ago
- python simulation interface for molecular modeling☆98Updated 3 years ago
- Tools for ThermoML parsing☆21Updated 4 years ago
- Python bindings for TNG file format☆13Updated 3 weeks ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆25Updated 3 years ago
- Chemical perception tree automated exploration tool.☆19Updated 7 years ago
- MD trajectory server☆34Updated 2 years ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆79Updated last week
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Updated 3 months ago
- Macromolecular viewer for crystallographers (WebGL)☆38Updated last month
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated 3 weeks ago
- Systematic force field optimization.☆152Updated 9 months ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆30Updated 10 months ago
- Python Library for Automating Molecular Simulations☆85Updated last week
- Template-directed automatic generation of transition state structures.☆11Updated 8 years ago
- Molecular dynamics workflow framework in python.☆13Updated 2 years ago
- This library tackles the construction and efficient execution of computational chemistry workflows☆49Updated last year
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆82Updated 7 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year