Examples

Presentations about Colmena, examples of using Colmena in the scientific literature, and in other open-source codes.

Tutorials

Presentations focused on how to use Colmena

  • Exascale Computing Project’s 2023 Annual Meeting [YouTube]

Publications

Improvements to Colmena

Papers about improving the performance or utility of Colmena

  • Ward et al. “Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing”. 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC) [paper] [ArXiv] [slides] [YouTube]

  • Ward et al. “Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources”. Heterogenous Computing Workshop at IPDPS 2023 [ArXiv] [slides] [YouTube]

Applications of Colmena

Papers where Colmena was used

  • Guo et al. “Composition-transferable machine learning potential for LiCl-KCl molten salts validated by high-energy x-ray diffraction” Physical Review B [paper] [ChemRxiv]

  • Zvyagin et al. “GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.” [bioRxiv]

  • Dharuman et al. “Protein Generation via Genome-scale Language Models with Bio-physical Scoring” [SC-W ‘23]

Open-Source Software

Other codes which use Colmena

  • ExaMol: Performs molecule design on HPC by combining AI and quantum chemistry (same devs as Colmena)