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Achievements

Achievement: YOLOAchievement: QuickdrawAchievement: Pull Sharkx2

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gpwolfe/README.md

The Mountains of Tucson

Gregory Wolfe

email

[email protected]

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

I write Python scripts to parse output from scientific instruments and software;
generate, evaluate and visualize datasets;
and ingest data to databases.

My work has been published:

ColabFit Exchange (NeurIPS 2024)
ColabFit Exchange (JCP 2023)
Cooperativity in RNA chemical probing experiments (preprint)
Xist A-repeats
lncRNA-RBM15 protein binding
RNA structure modulation

Pinned Loading

  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