exalearn / colmenaLinks
Library for steering campaigns of simulations on supercomputers
☆59Updated 6 months ago
Alternatives and similar repositories for colmena
Users that are interested in colmena are comparing it to the libraries listed below
Sorting:
- High throughput workflows and automation for HPC☆83Updated 5 months ago
- Repo for a DOE HPC workflow training event☆13Updated 2 years ago
- Workflow management for signac-managed data spaces.☆48Updated 4 months ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last week
- Molecular dynamics proxy application based on Cabana☆21Updated 9 months ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆88Updated 2 months ago
- RADICAL-Pilot☆63Updated this week
- ☆14Updated 3 years ago
- Collection of small examples for running on ALCF resources☆20Updated 4 months ago
- Up-scale python functions for high-performance computing (HPC)☆58Updated last week
- MLExchange is software infrastructure that deploys machine learning models to beamline scientists☆20Updated last year
- MiniMD Molecular Dynamics Mini-App☆50Updated 9 months ago
- Open Source Exascale Quantum Chemistry Software☆28Updated last month
- ExaWorks SDK☆11Updated last year
- ☆37Updated this week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated this week
- This is a repository with examples to run inference endpoints on various ALCF clusters☆26Updated last month
- ☆30Updated 2 weeks ago
- Python Interface to the Data and Learning Hub for Science☆28Updated 2 years ago
- Library for Green’s function based electronic structure theory calculations☆28Updated last month
- A tool to easily orchestrate general computational workflows both locally and on supercomputers☆152Updated last week
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated 2 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆41Updated this week
- Python client for SF API☆14Updated 2 months ago
- This is a mirror. Please check our main website on gitlab.☆29Updated last week
- Recipes for software stacks on Alps vClusters.☆15Updated last week
- 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 massively parallel library for computing the functions of sparse matrices.☆26Updated 3 weeks ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆65Updated 5 years ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆18Updated 3 years ago