HECBioSim / LongbowLinks
Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.
☆18Updated last week
Alternatives and similar repositories for Longbow
Users that are interested in Longbow are comparing it to the libraries listed below
Sorting:
- Workflow management for signac-managed data spaces.☆48Updated 4 months ago
- Up-scale python functions for high-performance computing (HPC)☆57Updated last week
- Main ESPResSo++ repository☆45Updated last week
- Python API for NIST Chemistry WebBook☆46Updated 4 months ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆73Updated 2 months ago
- Resources for teaching quantum chemistry courses in Bonn☆42Updated 4 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 6 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 4 years ago
- This is a mirror. Please check our main website on gitlab.☆29Updated last week
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Updated 3 years ago
- Library for Green’s function based electronic structure theory calculations☆28Updated 3 weeks ago
- PyGBe: Python, GPUs and Boundary elements for electrostatics☆67Updated 2 years ago
- ☆30Updated last week
- ☆34Updated 2 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- High throughput workflows and automation for HPC☆83Updated 5 months ago
- Modular computation tool chain library☆19Updated 3 weeks ago
- ARC - Automatic Rate Calculator☆46Updated last week
- A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.☆12Updated last year
- Molecular Dynamics in the Open☆85Updated last month
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- The database of chemical parameters used with Reaction Mechanism Generator☆118Updated 2 weeks ago
- Software Suite for Advanced General Ensemble Simulations☆89Updated 2 years ago
- Development version of i-PI☆21Updated 7 years ago
- funsies is a lightweight workflow engine 🔧☆41Updated 4 years ago
- Computational Chemistry Input Generator☆50Updated last month