glotzerlab / signac-dashboard
Rapidly visualize signac projects through a customizable dashboard interface.
☆16Updated 2 weeks ago
Alternatives and similar repositories for signac-dashboard:
Users that are interested in signac-dashboard are comparing it to the libraries listed below
- Workflow management for signac-managed data spaces.☆48Updated 2 weeks ago
- A lightweight package with the periodic table of the elements☆12Updated 3 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆22Updated last year
- Implementation of various machine learning representations for molecules☆24Updated 3 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆26Updated 10 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 5 years ago
- persistent, pythonic trees for heterogeneous data☆32Updated 2 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 5 years ago
- Python bindings for TNG file format☆13Updated 3 months ago
- ☆11Updated 9 months ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆16Updated 10 months ago
- funsies is a lightweight workflow engine 🔧☆41Updated 3 years ago
- Python program for aggregation and reaction☆21Updated 4 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- plug-n-play black box optimizer for high-throughput computing☆43Updated last year
- Examples for the freud library.☆14Updated last week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆15Updated 3 months ago
- PyTorch Autodiff DFT-D4 Implementation.☆19Updated this week
- A Basic Symmetry Module (Python)☆16Updated 7 months ago
- Fast computation of a gaussian and its derivative on a grid.☆30Updated 9 months ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆13Updated last week
- Python tools for quantum chemical calculations☆17Updated last year
- MoSDeF compatible wrapper for Cassandra Monte Carlo code☆12Updated 3 months ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 2 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 6 months ago
- A simple cube file viewer based on pythreejs☆24Updated last year
- An open-source, online textbook introducing Python programming to chemistry students☆24Updated 4 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- Template-directed automatic generation of transition state structures.☆9Updated 8 years ago