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:
- Main ESPResSo++ repository☆45Updated this week
- Library for calculating exact ligand cone angles☆14Updated 3 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 4 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Updated 3 years ago
- Modular computation tool chain library☆20Updated last month
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- Resources for teaching quantum chemistry courses in Bonn☆42Updated 4 months ago
- Workflow management for signac-managed data spaces.☆48Updated 4 months ago
- ☆19Updated 3 years ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- ARC - Automatic Rate Calculator☆46Updated last week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated 2 years ago
- Software Suite for Advanced General Ensemble Simulations☆89Updated 2 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆26Updated 3 weeks ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆21Updated last year
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆45Updated 4 years ago
- Library for Green’s function based electronic structure theory calculations☆28Updated last month
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆17Updated 6 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 4 years ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆73Updated 2 months ago
- MultiResolution Chemistry☆38Updated this week
- Molecular Dynamics in the Open☆85Updated last month
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- Developer repository for the LATTE code☆46Updated 2 months ago
- Numerical integration grid for molecules.☆50Updated 3 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- Up-scale python functions for high-performance computing (HPC)☆58Updated this week