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gpwolfe/README.md

The Mountains of Tucson

Gregory Wolfe

email

wolfe.gregory.p@gmail.com

Current projects

The ColabFit Exchange: An online repository to store and access data for machine learning interatomic potentials (MLIPs)

ColabFit on GitHub: Tools to access data from / submit data to the ColabFit Exchange

KIM REVIEW: Commentaries and discussion on seminal papers in molecular simulation.

What I work with:

Python Visual Studio Code Linux PySpark
Git GitHub macOS pandas NumPy scikit-learn SciPy
MongoDB SQLite Keras TensorFlow Slack Vast DB

Where I am:

Github LinkedIn

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  1. CLEANEX_experiment CLEANEX_experiment Public

    Plot and fit RNA data from NMR experiments based on a range of millisecond/collected peak intensity values.

    Python

  2. ctf ctf Public

    Create co-transcriptional folding constraints, using SHAPE data and FASTA, for better prediction of RNA structures.

    Python

  3. kratky_rg_izero kratky_rg_izero Public

    Create Kratky plots from a directory of SAXS data from PRIMUS analysis software, using RG and I(0) values.

    Python

  4. colabfit colabfit Public

    Files related to the ColabFit project, including scripts and notebooks for ingesting data.

    Python