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    32 repositories

    • parsl_esmfold

      Public
      Run ESMFold in parallel using Parsl.
      Python
      •
      MIT License
      •0•0•0•0•Updated Dec 19, 2024Dec 19, 2024

    • distllm

      Public
      Distributed Inference for Large Language Models.
      Python
      •
      MIT License
      •0•0•1•0•Updated Dec 17, 2024Dec 17, 2024

    • pdfwf

      Public
      PDF to Text extraction workflow.
      Python
      •
      MIT License
      •2•1•1•1•Updated Nov 27, 2024Nov 27, 2024

    • deepdrivewe

      Public
      Implementation of WESTPA using Colmena
      Python
      •
      MIT License
      •3•1•3•0•Updated Nov 15, 2024Nov 15, 2024

    • mdlearn

      Public
      Machine learning for molecular dynamics
      Python
      •
      MIT License
      •7•13•22•0•Updated Nov 9, 2024Nov 9, 2024

    • genslm

      Public
      GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics
      Python
      •
      MIT License
      •25•121•9•2•Updated Aug 21, 2024Aug 21, 2024

    • Megatron-DeepSpeed

      Public
      Ongoing research training transformer language models at scale, including: BERT & GPT-2
      Python
      •
      Other
      •2.4k•0•0•1•Updated Aug 8, 2024Aug 8, 2024

    • TPC-Barcelona-LLM-Tutorial

      Public
      Large Language Models (LLMs) for Science and Engineering Applications -- Tutorial given at TPC conference in Barcelona 2024
      Jupyter Notebook
      •5•3•0•0•Updated Jun 19, 2024Jun 19, 2024

    • AmpQA

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 13, 2024Apr 13, 2024

    • nougat

      Public
      Implementation of Nougat Neural Optical Understanding for Academic Documents
      Python
      •
      MIT License
      •575•0•0•0•Updated Apr 9, 2024Apr 9, 2024

    • SciFM24-Tutorial

      Public
      Tutorial notebooks for SciFM24
      Jupyter Notebook
      •3•11•0•0•Updated Apr 2, 2024Apr 2, 2024

    • deepdrivemd

      Public
      DeepDriveMD implemented with Colmena
      pythonmachine-learningdeep-learningsimulationworkflowsbiophysics
      Python
      •
      MIT License
      •6•6•5•1•Updated Mar 26, 2024Mar 26, 2024

    • protein-structure-template

      Public
      Python
      •0•0•0•0•Updated Mar 26, 2024Mar 26, 2024

    • metric_learning

      Public
      metric learning on document embeddings
      Python
      •
      MIT License
      •0•0•0•0•Updated Mar 14, 2024Mar 14, 2024

    • PicoProbeDataFlow

      Public
      Data pipeline infrastructure for ANL PicoProbe
      Python
      •0•0•0•0•Updated Nov 13, 2023Nov 13, 2023

    • picoprobe-portal

      Public
      Collate data from Globus Search for easy discovery and transfer
      Python
      •0•0•0•0•Updated Aug 25, 2023Aug 25, 2023

    • 8_IDI_workcell

      Public
      A repository for 8_ID_I work cell and module
      Python
      •
      MIT License
      •0•0•0•0•Updated Jun 26, 2023Jun 26, 2023

    • SummerStudentTemplate

      Public template
      TODO: Update with a brief project description
      0•0•0•0•Updated May 31, 2023May 31, 2023

    • xformers

      Public
      Hackable and optimized Transformers building blocks, supporting a composable construction.
      Python
      •
      Other
      •632•0•0•0•Updated Apr 5, 2023Apr 5, 2023

    • polaris_utils

      Public
      Python
      •0•0•0•0•Updated Mar 29, 2023Mar 29, 2023

    • multi-rl-workflow

      Public
      Workflows that concurrently train, use, and gather training data for multiple RL models
      Python
      •
      MIT License
      •1•0•0•0•Updated Mar 20, 2023Mar 20, 2023

    • Benchmarks

      Public
      ECP-CANDLE Benchmarks
      Python
      •
      MIT License
      •83•0•0•0•Updated Mar 13, 2023Mar 13, 2023

    • protein_structure_hackathon

      Public
      Hackathon repo for 11/28-11/30
      1•1•0•0•Updated Feb 22, 2023Feb 22, 2023

    • SyntheticSequenceEvaluation

      Public
      A pipeline to evaluate synthetic sequences.
      Python
      •0•3•0•0•Updated Dec 19, 2022Dec 19, 2022

    • CryoEM-GB-workflow-analysis

      Public
      Analysis of workflow runs for the CryoEM-MD-AI Gordon Bell Submission
      Jupyter Notebook
      •0•0•0•0•Updated Dec 16, 2022Dec 16, 2022

    • gladier_genslms

      Public
      Python
      •0•0•0•0•Updated Nov 11, 2022Nov 11, 2022

    • funcx-openfold

      Public
      FuncX OpenFold interface
      Python
      •0•0•0•0•Updated Aug 10, 2022Aug 10, 2022

    • cs2_cvae

      Public
      CS2 porting of CVAE code
      Python
      •0•0•1•0•Updated May 4, 2022May 4, 2022

    • molecular_dynamics_neural_operator

      Public
      Collection of machine learning models for learning molecular dynamics operators.
      Jupyter Notebook
      •0•3•2•0•Updated Dec 7, 2021Dec 7, 2021

    • SpikeProteinAnalysis-GB-2021

      Public
      Analysis of Spike protein simulations using machine learning for the 2021 Gordon Bell submission.
      Jupyter Notebook
      •0•0•0•0•Updated Sep 22, 2021Sep 22, 2021