datreant / datreant
persistent, pythonic trees for heterogeneous data
☆32Updated 2 years ago
Alternatives and similar repositories for datreant:
Users that are interested in datreant are comparing it to the libraries listed below
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Updated 5 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- Python bindings for TNG file format☆13Updated 5 months ago
- The new generation molecular viewer for IPython notebook☆82Updated 4 years ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆15Updated last week
- Datasets for open forcefield parameterization and development☆11Updated 5 years ago
- conda build recipes for the Omnia project☆24Updated 3 years ago
- The RADICAL Ensemble Toolkit☆29Updated 2 weeks ago
- Winter is coming...☆12Updated 6 years ago
- For discussing and aggregating data for force field development☆15Updated 8 years ago
- ☆19Updated 2 years ago
- Deploy Dask on DRMAA clusters☆40Updated 4 years ago
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆17Updated last month
- Data analysis tools for X-Ray, Neutron and Electron sciences☆96Updated 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
- Demo project for building and shipping Python conda packages with Appveyor CI and Travis CI☆67Updated 6 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆29Updated 5 months ago
- This is obsolete. Use this:☆21Updated 8 years ago
- Server code for MongoChem chemical data☆16Updated 2 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 8 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆78Updated 7 months ago
- Workflow management for signac-managed data spaces.☆47Updated last week
- A cookiecutter template for conda packages using Python☆107Updated 3 weeks ago
- Automated collection and reporting of citations for used software/methods/datasets☆239Updated 2 weeks ago
- Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)☆9Updated 2 years ago
- Data fitting with uncertainty analysis☆54Updated this week
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- RADICAL-Pilot☆59Updated this week