datreant / datreantLinks
persistent, pythonic trees for heterogeneous data
☆32Updated 3 years ago
Alternatives and similar repositories for datreant
Users that are interested in datreant 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
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- Winter is coming...☆12Updated 6 years ago
- Python bindings for TNG file format☆13Updated 7 months ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago
- For discussing and aggregating data for force field development☆15Updated 8 years ago
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- Server code for MongoChem chemical data☆16Updated 2 years ago
- The RADICAL Ensemble Toolkit☆29Updated 3 weeks ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- conda build recipes for the Omnia project☆24Updated 3 years ago
- Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.☆83Updated last year
- MD trajectory server☆34Updated last year
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆15Updated 3 weeks ago
- Deploy Dask on DRMAA clusters☆40Updated 4 years ago
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 3 years ago
- Python tools for VMD☆10Updated 7 years ago
- ☆19Updated 2 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆79Updated 9 months ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆18Updated last year
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆26Updated 4 years ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Burst analysis software for smFRET. **Moved to OpenSMFS organization**☆16Updated 6 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 10 months ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆9Updated 9 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆29Updated 7 months ago
- Data visualizations for biomolecular dynamics☆18Updated 6 years ago