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@basf

BASF

We create chemistry for a sustainable future
README.md

Welcome to BASF

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  1. reactflush reactflush Public

    Create a visual overview of all reactive elements in your Shiny app

    R 6

  2. rfieldclimate rfieldclimate Public

    An R client for Fieldclimate API

    R 2 1

  3. rweatherlink rweatherlink Public

    An R client for the weatherlink API

    R 4

  4. mopti mopti Public

    Lightweight tools for experimental design and multi-objective optimization.

    Python 29 3

Repositories

Showing 10 of 35 repositories
  • xeredar Public

    Functions for automated statistical analysis of Xenopus Eleutherembryonic Thyroid Assays (XETA), Rapid Androgen Disruption Activity Reporter (RADAR) assays and Rapid Estrogen Activity In Vitro (REACTIV) assays.

    basf/xeredar’s past year of commit activity
    R 0 0 0 0 Updated Dec 17, 2024
  • chemteb Public Forked from embeddings-benchmark/mteb

    ChemTEB: Chemical Text Embedding Benchmark

    basf/chemteb’s past year of commit activity
    Jupyter Notebook 1 Apache-2.0 287 0 0 Updated Dec 16, 2024
  • mlipx Public

    Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside powerful visualization and comparison tools.

    basf/mlipx’s past year of commit activity
    Python 62 MIT 4 2 0 Updated Dec 12, 2024
  • mamba-tabular Public

    Mambular is a Python package that simplifies tabular deep learning by providing a suite of models for regression, classification, and distributional regression tasks. It includes models such as Mambular, TabM, FT-Transformer, TabulaRNN, TabTransformer, and tabular ResNets.

    basf/mamba-tabular’s past year of commit activity
    Python 158 MIT 8 18 0 Updated Dec 11, 2024
  • MolPipeline Public

    A Python package for processing molecules with RDKit in scikit-learn

    basf/MolPipeline’s past year of commit activity
    Python 156 MIT 9 22 5 Updated Dec 5, 2024
  • mlipx-hub Public

    The home of mlipx recipes and result data that can be updated by community members with new models and testing protocols. This repo can then be used with remote zndraw portal for quick visualization and analysis.

    basf/mlipx-hub’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Dec 4, 2024
  • svelte-spectre Public

    UI-kit based on *spectre.css* and powered by *svelte*

    basf/svelte-spectre’s past year of commit activity
    Svelte 22 BSD-3-Clause 5 4 (2 issues need help) 3 Updated Nov 28, 2024
  • precomplex_generator Public

    The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.

    basf/precomplex_generator’s past year of commit activity
    Python 7 GPL-3.0 5 1 1 Updated Oct 9, 2024
  • metis-gui Public

    Modular standalone fat-client GUI for X-ray diffraction data simulations, analysis, and sharing

    basf/metis-gui’s past year of commit activity
    Svelte 8 BSD-3-Clause 5 7 (2 issues need help) 6 Updated Sep 24, 2024
  • cheminformatics_ci_cd_template Public

    A CI/CD template for python projects using github actions

    basf/cheminformatics_ci_cd_template’s past year of commit activity
    Python 3 0 0 0 Updated Sep 10, 2024
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