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| PyChemAuth | https://pychemauth.readthedocs.io/en/latest/index.html |
| Chemometric Carpentry | https://github.com/mahynski/chemometric-carpentry |
| STARLINGrt | https://starlingrt.readthedocs.io/en/latest/ |
| FINCHnmr | https://finchnmr.readthedocs.io/ |
| Escherized Colloids | https://github.com/usnistgov/escherized-colloids |
| Auto Prompt Optimization | https://github.com/mahynski/apo |
| https://huggingface.co/spaces/mahynski/RAG-private |
| RAG Data Extraction | https://huggingface.co/spaces/mahynski/RAG |
| CD2 | https://github.com/mahynski/cd2 |
| PyPI Template | https://github.com/mahynski/my_package |
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| workshop | https://pychemauth.readthedocs.io/en/latest/carpentry.html |
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| stable isotope | https://www.nist.gov/programs-projects/isotope-metrology |
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| PyChemAuth | https://pychemauth.readthedocs.io/en/latest/index.html |
| short course | https://github.com/mahynski/chemometric-carpentry |
| Trace Element Correlation Explorer Demo | https://chemometric-carpentry-periodic-table.streamlit.app/ |
| SITE database @NIST | http://callisto.nist.gov/site-web-interface-dev/dev/ |
| Predicting fluid phase thermodynamic properties | https://www.nist.gov/programs-projects/machine-learning-fluid-equations-state |
| https://patch-diff.githubusercontent.com/mahynski#tldr-1 |
| https://github.com/mahynski/mahynski/blob/e38576bb7883ade69a3433ac7f24f735daa23bbd/img/extrap.png |
| "Thermodynamic extrapolation" | https://gist.github.com/mahynski/2533b0d5f39348e73d09b0a2bcfa33e8 |
| others | https://github.com/usnistgov/thermoextrap |
| NIST Accolade | https://doi.org/10.18434/mds2-2288 |
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| thermoextrap | https://github.com/usnistgov/thermoextrap |
| FEASST | https://github.com/usnistgov/feasst |
| "Development of SAFT-Based Coarse-Grained Models of Carbon Dioxide and Nitrogen," | https://doi.org/10.1021/acs.jpcb.5c00536 |
| Industrial Fluid Properties Simulation Challenge | http://fluidproperties.org/ |
| https://patch-diff.githubusercontent.com/mahynski#selected-publications |
| "Predicting low-temperature free energy landscapes with flat-histogram monte carlo methods," | http://dx.doi.org/10.1063/1.4975331 |
| "Predicting structural properties of fluids by thermodynamic extrapolation," | https://doi.org/10.1063/1.5026493 |
| "Flat-histogram monte carlo as an efficient tool to evaluate adsorption processes involving rigid and deformable molecules," | https://doi.org/10.1021/acs.jctc.8b00534 |
| "Flat-histogram extrapolation as a useful tool in the age of big data," | https://doi.org/10.1080/08927022.2020.1747617 |
| Authenticating food labeling | https://www.nist.gov/programs-projects/machine-learning-predict-food-provenance |
| https://patch-diff.githubusercontent.com/mahynski#tldr-2 |
| https://github.com/mahynski/mahynski/blob/8864cf2f242ab68329345da9b46cfa8eee12edf5/img/food_authenticity_logo.png |
| https://patch-diff.githubusercontent.com/mahynski#publications |
| Collection of datasets and models on HuggingFace. | https://huggingface.co/collections/mahynski/food-authenticity-66fb5fa3ecfbd9538190f2f8 |
| "Comparing Machine Learning Models to Chemometric Ones to Detect Food Fraud: A Case Study in Slovenian Fruits and Vegetables," | https://doi.org/10.1016/j.foodchem.2025.144569 |
| GitHub repo | https://github.com/mahynski/slovenian-authentication |
| IAEA's | https://www.iaea.org/ |
| Implementation of Nuclear Techniques for AuthentiCaTion of Foods with High-Value Labelling Claims (INTACT Food) Project | https://nucleus.iaea.org/sites/nafa-projects/crp-D52042/SitePages/Home.aspx |
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| trends in biorepositories | https://www.nist.gov/programs-projects/classification-methods-nist-biorepository |
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| https://github.com/mahynski/mahynski/blob/4aa6d8833c51a5b758128e0b6f4cd80aef7f9f09/img/stamp.png |
| biobanks | https://www.nist.gov/programs-projects/nist-biorepository |
| https://patch-diff.githubusercontent.com/mahynski#publications-1 |
| Collection of datasets and models on HuggingFace. | https://huggingface.co/collections/mahynski/biorepository-modeling-66fb5ae309158714ab059f82 |
| "Building Interpretable Machine Learning Models to Identify Chemometric Trends in Seabirds of the North Pacific Ocean," | https://doi.org/10.1021/acs.est.2c01894 |
| GitHub repo | https://github.com/mahynski/stamp-dataset-1999-2010 |
| https://patch-diff.githubusercontent.com/mahynski#tldr-4 |
| HSQC NMR | https://en.wikipedia.org/wiki/Heteronuclear_single_quantum_coherence_spectroscopy |
| https://patch-diff.githubusercontent.com/mahynski#publications-2 |
| FINCHnmr | https://github.com/mahynski/FINCHnmr/ |
| STARLINGrt | https://github.com/mahynski/starlingrt/ |
| Database Infrastructure for Mass Spectrometry (DIMSpec) | https://github.com/usnistgov/dimspec |
| training resources | https://pages.nist.gov/dimspec/docs/intro-start.html |
| Identifying materials | https://dx.doi.org/10.1007/s10967-023-09024-x |
| https://patch-diff.githubusercontent.com/mahynski#tldr-5 |
| https://github.com/mahynski/mahynski/blob/ef0630993ed07469ba9e036def766a44be22af99/img/cnn.png |
| less than 5% | https://scarbroughglobal.com/u-s-customs-exams-explained/ |
| nearly 25 million containers arriving at US borders | https://www.cbp.gov/border-security/ports-entry/cargo-security |
| nearly $5 billion | https://www.whistleblowerllc.com/what-we-do/financial-fraud/customs-fraud/ |
| Prompt gamma-ray activation analysis (PGAA) | https://www.nist.gov/laboratories/tools-instruments/prompt-gamma-ray-activation-analysis-pgaa |
| https://patch-diff.githubusercontent.com/mahynski#publications-3 |
| Collection of datasets and models on HuggingFace. | https://huggingface.co/collections/mahynski/pgaa-spectra-classification-66f7fcd65ea4244ba1b9559b |
| "Classification and authentication of materials using prompt gamma ray activation analysis," | https://link.springer.com/article/10.1007/s10967-023-09024-x |
| GitHub repo | https://github.com/mahynski/pgaa-material-authentication |
| "Encoding PGAA spectra as images for material classification with convolutional neural networks," | https://doi.org/10.1007/s10967-025-10165-4 |
| GitHub repo | https://github.com/mahynski/pgaa-imaging |
| colloidal self-assembly | https://doi.org/10.1063/5.0106131 |
| Escher | https://pubs.acs.org/doi/10.1021/acs.jctc.3c01284 |
| https://patch-diff.githubusercontent.com/mahynski#tldr-6 |
| https://github.com/mahynski/mahynski/blob/92605b32349986d0461c0db3effce4ad182de948/img/escherize.png |
| Colloidal films | https://en.wikipedia.org/wiki/Colloid |
| self-assembly | https://en.wikipedia.org/wiki/Self-assembly_of_nanoparticles |
| M. C. Escher | https://mcescher.com/ |
| https://patch-diff.githubusercontent.com/mahynski#publications-4 |
| "Programming interfacial porosity and symmetry with Escherized colloids," | https://doi.org/10.1021/acs.jctc.3c01284 |
| GitHub repo | https://github.com/usnistgov/escherized-colloids |
| "Derivable genetic programming for two-dimensional colloidal materials," | https://doi.org/10.1063/5.0106131 |
| "Symmetry-derived structure directing agents for two-dimensional crystals of arbitrary colloids," | https://doi.org/10.1039/d1sm00875g |
| "Grand canonical inverse design of multicomponent colloidal crystals," | https://doi.org/10.1039/c9sm02426c |
| "Symmetry-based crystal structure enumeration in two dimensions," | https://doi.org/10.1021/acs.jpca.0c00846 |
| "Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly," | https://doi.org/10.1038/s41467-019-10031-4 |
| https://patch-diff.githubusercontent.com/mahynski#more-information |
| Craig Kaplan's | https://isohedral.ca/ |
| demo | https://isohedral.ca/software/tactile/ |
| https://patch-diff.githubusercontent.com/mahynski#tldr-7 |
| Retrieval augmented generation (RAG) | https://blogs.nvidia.com/blog/what-is-retrieval-augmented-generation/ |
| prompt optimization | https://arxiv.org/pdf/2309.03409 |
| topic modeling | https://maartengr.github.io/BERTopic/index.html |
| https://patch-diff.githubusercontent.com/mahynski#products-2 |
| Retrieval-Augmented Generation Demo | https://huggingface.co/spaces/mahynski/RAG |
| Automatic Prompt Optimization Framework | https://github.com/mahynski/apo |
|
pychemauth
| https://patch-diff.githubusercontent.com/mahynski/pychemauth |
|
13
| https://patch-diff.githubusercontent.com/mahynski/pychemauth/stargazers |
|
5
| https://patch-diff.githubusercontent.com/mahynski/pychemauth/forks |
|
chemometric-carpentry
| https://patch-diff.githubusercontent.com/mahynski/chemometric-carpentry |
|
10
| https://patch-diff.githubusercontent.com/mahynski/chemometric-carpentry/stargazers |
|
1
| https://patch-diff.githubusercontent.com/mahynski/chemometric-carpentry/forks |
|
finchnmr
| https://patch-diff.githubusercontent.com/mahynski/finchnmr |
|
2
| https://patch-diff.githubusercontent.com/mahynski/finchnmr/stargazers |
|
starlingrt
| https://patch-diff.githubusercontent.com/mahynski/starlingrt |
|
2
| https://patch-diff.githubusercontent.com/mahynski/starlingrt/stargazers |
|
stamp-dataset-1999-2010
| https://patch-diff.githubusercontent.com/mahynski/stamp-dataset-1999-2010 |
|
tactile
| https://patch-diff.githubusercontent.com/mahynski/tactile |
| isohedral/tactile | https://patch-diff.githubusercontent.com/isohedral/tactile |
| GitHub status page | https://www.githubstatus.com/ |
| contact support | https://patch-diff.githubusercontent.com/contact |
| Please reload this page | https://patch-diff.githubusercontent.com/mahynski |
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